N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide

C20H21N5O3S — CID 9343888

IUPACN-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H21N5O3S/c26-20(19-16-6-3-4-7-17(16)23-24-19)22-14-9-11-15(12-10-14)29(27,28)25-18-8-2-1-5-13-21-18/h3-4,6-7,9-12H,1-2,5,8,13H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyWUCNMTQAKHAHIJ-UHFFFAOYSA-N
MW411.49 g/mol
LogP3.07
Rot. Bonds4

About N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide

N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 9343888) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID9343888
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H21N5O3S/c26-20(19-16-6-3-4-7-17(16)23-24-19)22-14-9-11-15(12-10-14)29(27,28)25-18-8-2-1-5-13-21-18/h3-4,6-7,9-12H,1-2,5,8,13H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyWUCNMTQAKHAHIJ-UHFFFAOYSA-N
XLogP3.07
TPSA116.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-2-oxoethoxy)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 24524404
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 9343822
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011323
4-propan-2-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 9343848
1-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 9426498
4-acetyl-3,5-dimethyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 2125108
N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1H-indazole-3-carboxamide
CID 9319980
(2S)-5-oxo-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 9343826
2-naphthalen-2-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 26267039
2-chloro-4,5-difluoro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 2107533
2-(2-methylphenoxy)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 2711258
N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2375419

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide (CID 9343888) is N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is WUCNMTQAKHAHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-20(19-16-6-3-4-7-17(16)23-24-19)22-14-9-11-15(12-10-14)29(27,28)25-18-8-2-1-5-13-21-18/h3-4,6-7,9-12H,1-2,5,8,13H2,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide?
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 9343888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).