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

C14H15ClN2O4S3 — CID 5171677

IUPAC5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O4S3/c15-13-6-7-14(22-13)23(18,19)16-11-4-3-5-12(10-11)24(20,21)17-8-1-2-9-17/h3-7,10,16H,1-2,8-9H2
InChIKeyKNEWXGUJYWWJFN-UHFFFAOYSA-N
MW406.94 g/mol
LogP2.99
Rot. Bonds5

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

5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide (PubChem CID 5171677) has the molecular formula C14H15ClN2O4S3 and a molecular weight of 406.94 g/mol. Its IUPAC name is 5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
PubChem CID5171677
Molecular FormulaC14H15ClN2O4S3
Molecular Weight406.94 g/mol
Exact Mass405.99
IUPAC Name5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O4S3/c15-13-6-7-14(22-13)23(18,19)16-11-4-3-5-12(10-11)24(20,21)17-8-1-2-9-17/h3-7,10,16H,1-2,8-9H2
InChIKeyKNEWXGUJYWWJFN-UHFFFAOYSA-N
XLogP2.99
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide (CID 5171677) is 5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide?
The InChIKey is KNEWXGUJYWWJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S3/c15-13-6-7-14(22-13)23(18,19)16-11-4-3-5-12(10-11)24(20,21)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-ylsulfonylphenyl)thiophene-2-sulfonamide?
5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide has a molecular weight of 406.94 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 5171677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).