2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine

C16H16ClN3O2S — CID 75377636

IUPAC2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine
SMILESO=S(=O)(CCNCc1cccc2cn[nH]c12)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2S/c17-14-4-6-15(7-5-14)23(21,22)9-8-18-10-12-2-1-3-13-11-19-20-16(12)13/h1-7,11,18H,8-10H2,(H,19,20)
InChIKeyIQXMACUJOZVWKO-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.78
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine

2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine (PubChem CID 75377636) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine
PubChem CID75377636
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine
SMILESO=S(=O)(CCNCc1cccc2cn[nH]c12)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2S/c17-14-4-6-15(7-5-14)23(21,22)9-8-18-10-12-2-1-3-13-11-19-20-16(12)13/h1-7,11,18H,8-10H2,(H,19,20)
InChIKeyIQXMACUJOZVWKO-UHFFFAOYSA-N
XLogP2.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol
CID 111969339
N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
CID 115684234
N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 71923123
2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide
CID 75377637
N-(1H-indazol-7-ylmethyl)cyclopropanamine
CID 115678445
N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 155953082
N-(1H-indazol-7-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 71974601
N-[2-(4-chlorophenyl)sulfonylethyl]prop-2-en-1-amine
CID 103603103
3-chloro-4-fluoro-N-(1H-indazol-7-yl)benzenesulfonamide
CID 4165476
1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 111969416
1-[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-(1H-indazol-7-ylmethyl)methanamine
CID 99814841
3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol
CID 111969470

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine (CID 75377636) is 2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine is O=S(=O)(CCNCc1cccc2cn[nH]c12)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine?
The InChIKey is IQXMACUJOZVWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-14-4-6-15(7-5-14)23(21,22)9-8-18-10-12-2-1-3-13-11-19-20-16(12)13/h1-7,11,18H,8-10H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine?
2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine has a molecular weight of 349.84 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine is sourced from PubChem (CID 75377636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).