4-(thiophene-2-carbonylamino)benzenesulfonyl chloride

C11H8ClNO3S2 — CID 15384313

IUPAC4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1cccs1
InChIInChI=1S/C11H8ClNO3S2/c12-18(15,16)9-5-3-8(4-6-9)13-11(14)10-2-1-7-17-10/h1-7H,(H,13,14)
InChIKeyRQMQQCKHRXAFAF-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.93
Rot. Bonds3

About 4-(thiophene-2-carbonylamino)benzenesulfonyl chloride

4-(thiophene-2-carbonylamino)benzenesulfonyl chloride (PubChem CID 15384313) has the molecular formula C11H8ClNO3S2 and a molecular weight of 301.78 g/mol. Its IUPAC name is 4-(thiophene-2-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
PubChem CID15384313
Molecular FormulaC11H8ClNO3S2
Molecular Weight301.78 g/mol
Exact Mass300.96
IUPAC Name4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1cccs1
InChIInChI=1S/C11H8ClNO3S2/c12-18(15,16)9-5-3-8(4-6-9)13-11(14)10-2-1-7-17-10/h1-7H,(H,13,14)
InChIKeyRQMQQCKHRXAFAF-UHFFFAOYSA-N
XLogP2.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 94151005
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216096
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 17440704
N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18140938
3-methyl-2-[[4-[4-(thiophene-2-carbonylamino)phenyl]phenyl]sulfonylamino]butanoic acid
CID 68714126
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
N-[4-(methylcarbamoylamino)phenyl]sulfonylthiophene-2-carboxamide
CID 15097317

Frequently Asked Questions

What is the IUPAC name of 4-(thiophene-2-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 4-(thiophene-2-carbonylamino)benzenesulfonyl chloride (CID 15384313) is 4-(thiophene-2-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 4-(thiophene-2-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 4-(thiophene-2-carbonylamino)benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1cccs1.
What is the InChIKey of 4-(thiophene-2-carbonylamino)benzenesulfonyl chloride?
The InChIKey is RQMQQCKHRXAFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S2/c12-18(15,16)9-5-3-8(4-6-9)13-11(14)10-2-1-7-17-10/h1-7H,(H,13,14).
What are the key properties of 4-(thiophene-2-carbonylamino)benzenesulfonyl chloride?
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride has a molecular weight of 301.78 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophene-2-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 15384313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).