Chemical ID: 5027263

CCCc1nnc(s1)NS(=O)(=O)c2ccccc2
Chemical ID:
5027263
Name [?]:
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILES [?]:
CCCc1nnc(s1)NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C11H13N3O2S2/c1-2-6-10-12-13-11(17-10)14-18(15,16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,3,14,18,13,4,7,5,6,9,11,12,8,10/E:(4,5)(7,8)(15,16)/CRV:18.6/rA:18nCCCCNNCSNSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3O2S2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.32432
Area:457.796
Solvation:-2.12058
Coulombic:-17.876
Bond Count [?]
All:19
Single:12
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:283.372
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.05
LogP (Chemaxon):1.84

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Descriptor Annotations

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