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Chemical ID: 6155702

Chemical ID:

6155702

Name [?]:

N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-benzenesulfonamide

SMILES [?]:

CCC(CC)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)OC

InChi [?]:

InChI=1/C14H19N3O3S2/c1-4-10(5-2)13-15-16-14(21-13)17-22(18,19)12-8-6-11(20-3)7-9-12/h6-10H,4-5H2,1-3H3,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,5,22,2,4,17,19,16,20,3,18,15,6,9,7,8,11,13,14,21,10,12/E:(1,2)(4,5)(6,7)(8,9)(18,19)/CRV:22.6/rA:22nCCCCCCNNCSNSOOCCCCCCOC/rB:s1;s2;s3;s4;s3;d6;s7;d8;s6s9;s9;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉N₃O₃S₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.77726
Area:	530.044
Solvation:	-3.47383
Coulombic:	-24.5424

Bond Count [?]

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

Chemical Properties

Molecular Weight:	341.451
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.82
LogP (Chemaxon):	2.54

Name Annotations

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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