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Chemical ID: 6201932

CC1CC(CN(C1)CCCNS(=O)(=O)c2cc(cc3c2N(CC3)C(=O)C4CC4)Br)C

Chemical ID:

6201932

Name [?]:

5-bromo-1-cyclopropylcarbonyl-N-[3-(3,5-dimethyl-1-piperidyl)propyl]indoline-7-sulfonamide

SMILES [?]:

CC1CC(CN(C1)CCCNS(=O)(=O)c2cc(cc3c2N(CC3)C(=O)C4CC4)Br)C

InChi [?]:

InChI=1/C22H32BrN3O3S/c1-15-10-16(2)14-25(13-15)8-3-7-24-30(28,29)20-12-19(23)11-18-6-9-26(21(18)20)22(27)17-4-5-17/h11-12,15-17,24H,3-10,13-14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,30,9,27,28,23,10,8,22,3,18,16,7,5,2,4,26,19,17,15,20,24,29,11,6,21,25,13,14,12/E:(1,2)(4,5)(13,14)(15,16)(28,29)/CRV:30.6/rA:30cCCCCCNCCCCNSOOCCCCCCNCCCOCCCBrC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s20;s21;s19s22;s21;d24;s24;s26;s26s27;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₃₂BrN₃O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	2

ZAP Information [?]

Total:	12.194
Area:	663.193
Solvation:	-4.38586
Coulombic:	-30.5049

Bond Count [?]

All:	33
Single:	27
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	498.478
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.79
LogP (Chemaxon):	1.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value