5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide

C10H13ClN2O3S2 — CID 25042934

IUPAC5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2O3S2/c11-8-4-5-9(17-8)18(15,16)13-7-3-1-2-6-12-10(7)14/h4-5,7,13H,1-3,6H2,(H,12,14)
InChIKeyBFQWGJIQJYNJKV-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.35
Rot. Bonds3

About 5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide

5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide (PubChem CID 25042934) has the molecular formula C10H13ClN2O3S2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide
PubChem CID25042934
Molecular FormulaC10H13ClN2O3S2
Molecular Weight308.81 g/mol
Exact Mass308.01
IUPAC Name5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2O3S2/c11-8-4-5-9(17-8)18(15,16)13-7-3-1-2-6-12-10(7)14/h4-5,7,13H,1-3,6H2,(H,12,14)
InChIKeyBFQWGJIQJYNJKV-UHFFFAOYSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-fluoro-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 47203331
5-chloro-4-nitro-N-(2-oxopiperidin-3-yl)thiophene-2-sulfonamide
CID 80742177
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 62380456
2-bromo-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979852
2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979851
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide
CID 94061079
N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
CID 80662650
5-chloro-N-[(3R)-2-oxopiperidin-3-yl]thiophene-2-carboxamide
CID 95048356
5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide
CID 51891623
5-bromo-2-chloro-N-(2-oxoazepan-3-yl)pyridine-3-sulfonamide
CID 61060873
4-bromo-2,6-dichloro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49149515

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide (CID 25042934) is 5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide is O=C1NCCCCC1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide?
The InChIKey is BFQWGJIQJYNJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S2/c11-8-4-5-9(17-8)18(15,16)13-7-3-1-2-6-12-10(7)14/h4-5,7,13H,1-3,6H2,(H,12,14).
What are the key properties of 5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide?
5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide has a molecular weight of 308.81 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 25042934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).