N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide

C16H17N3O3S — CID 97239288

IUPACN-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide
SMILESO=S(=O)(NC[C@@H](O)Cc1ccccc1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H17N3O3S/c20-14(8-12-4-2-1-3-5-12)11-18-23(21,22)15-7-6-13-10-17-19-16(13)9-15/h1-7,9-10,14,18,20H,8,11H2,(H,17,19)/t14-/m0/s1
InChIKeySBYWORORZJYUOS-AWEZNQCLSA-N
MW331.40 g/mol
LogP1.44
Rot. Bonds6

About N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide

N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide (PubChem CID 97239288) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide
PubChem CID97239288
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide
SMILESO=S(=O)(NC[C@@H](O)Cc1ccccc1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H17N3O3S/c20-14(8-12-4-2-1-3-5-12)11-18-23(21,22)15-7-6-13-10-17-19-16(13)9-15/h1-7,9-10,14,18,20H,8,11H2,(H,17,19)/t14-/m0/s1
InChIKeySBYWORORZJYUOS-AWEZNQCLSA-N
XLogP1.44
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
CID 71911354
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618
N-(2-hydroxy-2-phenylethyl)-1H-indazole-6-carboxamide
CID 43394671
5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide
CID 167913458
1H-indazole-6-sulfonyl fluoride
CID 71925828
N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
CID 111439961
N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1,3-benzothiazole-6-sulfonamide
CID 175980645
5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90534466
N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
CID 103836737
1-[(4-methylsulfonylphenyl)methylamino]-3-phenylpropan-2-ol
CID 23060817

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide (CID 97239288) is N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide is O=S(=O)(NC[C@@H](O)Cc1ccccc1)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide?
The InChIKey is SBYWORORZJYUOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-14(8-12-4-2-1-3-5-12)11-18-23(21,22)15-7-6-13-10-17-19-16(13)9-15/h1-7,9-10,14,18,20H,8,11H2,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide?
N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-phenylpropyl]-1H-indazole-6-sulfonamide is sourced from PubChem (CID 97239288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).