5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide

C14H15ClN2O2S2 — CID 110361652

IUPAC5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S2/c15-13-6-7-14(20-13)21(18,19)16-11-4-3-5-12(10-11)17-8-1-2-9-17/h3-7,10,16H,1-2,8-9H2
InChIKeyWVIWVKAOQBKRCN-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.80
Rot. Bonds4

About 5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide

5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide (PubChem CID 110361652) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
PubChem CID110361652
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC Name5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S2/c15-13-6-7-14(20-13)21(18,19)16-11-4-3-5-12(10-11)17-8-1-2-9-17/h3-7,10,16H,1-2,8-9H2
InChIKeyWVIWVKAOQBKRCN-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636296
5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide
CID 7483034
5-ethyl-N-(3-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 110362404
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53024698
5-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 22205412
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
2-(azepan-1-yl)-5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024673
5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 22576140
4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110426248
N-(3-piperazin-1-ylphenyl)thiophene-2-sulfonamide
CID 102430110
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110361647

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide (CID 110361652) is 5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is WVIWVKAOQBKRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c15-13-6-7-14(20-13)21(18,19)16-11-4-3-5-12(10-11)17-8-1-2-9-17/h3-7,10,16H,1-2,8-9H2.
What are the key properties of 5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide?
5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 342.87 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 110361652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).