N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide

C20H22N4O3S — CID 17417619

IUPACN-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H22N4O3S/c25-20(19-17-10-3-4-11-18(17)22-23-19)21-15-8-7-9-16(14-15)28(26,27)24-12-5-1-2-6-13-24/h3-4,7-11,14H,1-2,5-6,12-13H2,(H,21,25)(H,22,23)
InChIKeyHVUXFYNZSYTBLC-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.38
Rot. Bonds4

About N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide

N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 17417619) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID17417619
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H22N4O3S/c25-20(19-17-10-3-4-11-18(17)22-23-19)21-15-8-7-9-16(14-15)28(26,27)24-12-5-1-2-6-13-24/h3-4,7-11,14H,1-2,5-6,12-13H2,(H,21,25)(H,22,23)
InChIKeyHVUXFYNZSYTBLC-UHFFFAOYSA-N
XLogP3.38
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide
CID 70167625
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179197
N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carboxamide;formic acid
CID 86758801
2-naphthalen-1-yl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926207
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 26558621
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835
N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 40711329

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide (CID 17417619) is N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is HVUXFYNZSYTBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-20(19-17-10-3-4-11-18(17)22-23-19)21-15-8-7-9-16(14-15)28(26,27)24-12-5-1-2-6-13-24/h3-4,7-11,14H,1-2,5-6,12-13H2,(H,21,25)(H,22,23).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide?
N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 17417619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).