3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide

C17H18N2O2S — CID 160556057

IUPAC3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide
SMILESCC1=CCc2c(NS(=O)(=O)c3cccc(N)c3)ccc(C)c21
InChIInChI=1S/C17H18N2O2S/c1-11-6-8-15-16(9-7-12(2)17(11)15)19-22(20,21)14-5-3-4-13(18)10-14/h3-7,9-10,19H,8,18H2,1-2H3
InChIKeyGXNILZBAAYJKRL-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.34
Rot. Bonds3

About 3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide

3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide (PubChem CID 160556057) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide
PubChem CID160556057
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide
SMILESCC1=CCc2c(NS(=O)(=O)c3cccc(N)c3)ccc(C)c21
InChIInChI=1S/C17H18N2O2S/c1-11-6-8-15-16(9-7-12(2)17(11)15)19-22(20,21)14-5-3-4-13(18)10-14/h3-7,9-10,19H,8,18H2,1-2H3
InChIKeyGXNILZBAAYJKRL-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,7-dimethyl-3H-inden-4-yl)-4-isocyanobenzenesulfonamide
CID 159878091
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
N-(1,7-dimethyl-3H-inden-4-yl)-3-isocyano-4-(3-methoxypropyl)benzenesulfonamide
CID 161335777
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590908
3-amino-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802519
3-amino-N-(3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 140762991
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 134103318
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65488884
3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79768613

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide (CID 160556057) is 3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide is CC1=CCc2c(NS(=O)(=O)c3cccc(N)c3)ccc(C)c21.
What is the InChIKey of 3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide?
The InChIKey is GXNILZBAAYJKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-6-8-15-16(9-7-12(2)17(11)15)19-22(20,21)14-5-3-4-13(18)10-14/h3-7,9-10,19H,8,18H2,1-2H3.
What are the key properties of 3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide?
3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,7-dimethyl-3H-inden-4-yl)benzenesulfonamide is sourced from PubChem (CID 160556057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).