N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide

C14H13N3O2S — CID 70645024

IUPACN-(1H-indazol-5-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H13N3O2S/c18-20(19,10-11-4-2-1-3-5-11)17-13-6-7-14-12(8-13)9-15-16-14/h1-9,17H,10H2,(H,15,16)
InChIKeyRPGCJROUYYFQGP-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.50
Rot. Bonds4

About N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide

N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide (PubChem CID 70645024) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-1-phenylmethanesulfonamide
PubChem CID70645024
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(1H-indazol-5-yl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H13N3O2S/c18-20(19,10-11-4-2-1-3-5-11)17-13-6-7-14-12(8-13)9-15-16-14/h1-9,17H,10H2,(H,15,16)
InChIKeyRPGCJROUYYFQGP-UHFFFAOYSA-N
XLogP2.50
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2H-benzotriazol-5-yl)-1-phenylmethanesulfonamide
CID 74225109
5-(1H-indazol-5-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912281
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-[4-[1-(1H-indazol-5-ylamino)ethyl]phenyl]ethanesulfonamide
CID 75516896
N-(4-phenylbutan-2-yl)-1H-indazol-5-amine
CID 43690949
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
CID 70689793
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-phenylmethanesulfonamide
CID 75442539
N-(1H-indazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 140564692
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide (CID 70645024) is N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide?
The InChIKey is RPGCJROUYYFQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-20(19,10-11-4-2-1-3-5-11)17-13-6-7-14-12(8-13)9-15-16-14/h1-9,17H,10H2,(H,15,16).
What are the key properties of N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide?
N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 70645024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).