N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide

C19H20ClNO2S2 — CID 59701874

IUPACN-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NC1C2CCC1CC(=Cc1ccccc1)C2)c1ccc(Cl)s1
InChIInChI=1S/C19H20ClNO2S2/c20-17-8-9-18(24-17)25(22,23)21-19-15-6-7-16(19)12-14(11-15)10-13-4-2-1-3-5-13/h1-5,8-10,15-16,19,21H,6-7,11-12H2/b14-10-
InChIKeyBYBOSASDIDKAOS-UVTDQMKNSA-N
MW393.96 g/mol
LogP4.95
Rot. Bonds4

About N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide

N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide (PubChem CID 59701874) has the molecular formula C19H20ClNO2S2 and a molecular weight of 393.96 g/mol. Its IUPAC name is N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide
PubChem CID59701874
Molecular FormulaC19H20ClNO2S2
Molecular Weight393.96 g/mol
Exact Mass393.06
IUPAC NameN-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NC1C2CCC1CC(=Cc1ccccc1)C2)c1ccc(Cl)s1
InChIInChI=1S/C19H20ClNO2S2/c20-17-8-9-18(24-17)25(22,23)21-19-15-6-7-16(19)12-14(11-15)10-13-4-2-1-3-5-13/h1-5,8-10,15-16,19,21H,6-7,11-12H2/b14-10-
InChIKeyBYBOSASDIDKAOS-UVTDQMKNSA-N
XLogP4.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-5-chlorothiophene-2-sulfonamide
CID 22204431
5-chloro-N-[5-[2-(4-fluoroanilino)ethylamino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 59701800
5-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]thiophene-2-sulfonamide
CID 95984008
5-chloro-N-piperidin-4-ylthiophene-2-sulfonamide
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5-chloro-N-[5-[(2-morpholin-4-yl-2-oxoethyl)amino]-13-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]thiophene-2-sulfonamide
CID 91548286
N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
CID 80662650
N-(3-aminocyclobutyl)-5-chlorothiophene-2-sulfonamide
CID 43597846
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
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5-chloro-N-[(1R,2S)-2-(cyclopentylamino)cyclobutyl]thiophene-2-sulfonamide
CID 133130662
N-[(1S,10R,13R)-13-[(5-chlorothiophen-2-yl)sulfonylamino]-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]-2-[[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]acetamide
CID 46830032
5-chloro-N-(3,3-dimethylcyclopentyl)thiophene-2-sulfonamide
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5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide (CID 59701874) is N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide is O=S(=O)(NC1C2CCC1CC(=Cc1ccccc1)C2)c1ccc(Cl)s1.
What is the InChIKey of N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is BYBOSASDIDKAOS-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H20ClNO2S2/c20-17-8-9-18(24-17)25(22,23)21-19-15-6-7-16(19)12-14(11-15)10-13-4-2-1-3-5-13/h1-5,8-10,15-16,19,21H,6-7,11-12H2/b14-10-.
What are the key properties of N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide?
N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 393.96 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylidene-8-bicyclo[3.2.1]octanyl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 59701874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).