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Chemical ID: 7220251

Chemical ID:

7220251

Name [?]:

1-ethyl-5-methyl-N-[1-(p-tolyl)propyl]pyrazole-4-sulfonamide

SMILES [?]:

CCC(c1ccc(cc1)C)NS(=O)(=O)c2cnn(c2C)CC

InChi [?]:

InChI=1/C16H23N3O2S/c1-5-15(14-9-7-12(3)8-10-14)18-22(20,21)16-11-17-19(6-2)13(16)4/h7-11,15,18H,5-6H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,22,10,20,2,21,6,8,5,9,16,7,19,4,3,15,17,11,18,13,14,12/E:(7,8)(9,10)(20,21)/CRV:22.6/rA:22cCCCCCCCCCCNSOOCCNNCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s3;s11;d12;d12;s12;s15;d16;s17;d15s18;s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₃N₃O₂S
All Atoms:	45
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	9.79054
Area:	491.698
Solvation:	-2.50191
Coulombic:	-17.7368

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	321.439
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.05
LogP (Chemaxon):	2.68

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value