5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide

C17H18ClN3O3S2 — CID 9343844

IUPAC5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C17H18ClN3O3S2/c18-15-10-9-14(25-15)17(22)20-12-5-7-13(8-6-12)26(23,24)21-16-4-2-1-3-11-19-16/h5-10H,1-4,11H2,(H,19,21)(H,20,22)
InChIKeyIHLPBUCOPCEMOK-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.90
Rot. Bonds4

About 5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide

5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 9343844) has the molecular formula C17H18ClN3O3S2 and a molecular weight of 411.94 g/mol. Its IUPAC name is 5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide
PubChem CID9343844
Molecular FormulaC17H18ClN3O3S2
Molecular Weight411.94 g/mol
Exact Mass411.05
IUPAC Name5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C17H18ClN3O3S2/c18-15-10-9-14(25-15)17(22)20-12-5-7-13(8-6-12)26(23,24)21-16-4-2-1-3-11-19-16/h5-10H,1-4,11H2,(H,19,21)(H,20,22)
InChIKeyIHLPBUCOPCEMOK-UHFFFAOYSA-N
XLogP3.90
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 2324236
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 9343822
2-chloro-4,5-difluoro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 2107533
5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 4802431
4-propan-2-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 9343848
5-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9219442
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011323
1-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 9426498
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide
CID 9343888
trans-(1S,2S)-2-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 9343886
2-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butanamide
CID 46511362
4-acetyl-3,5-dimethyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 2125108

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide (CID 9343844) is 5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is IHLPBUCOPCEMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S2/c18-15-10-9-14(25-15)17(22)20-12-5-7-13(8-6-12)26(23,24)21-16-4-2-1-3-11-19-16/h5-10H,1-4,11H2,(H,19,21)(H,20,22).
What are the key properties of 5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide?
5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 411.94 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9343844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).