2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide

C20H22N2O2S — CID 113096741

IUPAC2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C20H22N2O2S/c1-14-7-3-6-10-20(14)25(23,24)21-15-11-12-19-17(13-15)16-8-4-5-9-18(16)22(19)2/h3-10,15,21H,11-13H2,1-2H3
InChIKeyZAMLRSHIHUCQFT-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.32
Rot. Bonds3

About 2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide

2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide (PubChem CID 113096741) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide
PubChem CID113096741
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CCc2c(c3ccccc3n2C)C1
InChIInChI=1S/C20H22N2O2S/c1-14-7-3-6-10-20(14)25(23,24)21-15-11-12-19-17(13-15)16-8-4-5-9-18(16)22(19)2/h3-10,15,21H,11-13H2,1-2H3
InChIKeyZAMLRSHIHUCQFT-UHFFFAOYSA-N
XLogP3.32
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanesulfonamide
CID 113096702
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide
CID 113096632
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide
CID 113096664
2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide
CID 18929784
9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613056
sodium;hydride;3-[3-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 173377940
ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
CID 145187913
4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide
CID 113096656
ethyl 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoate
CID 141187924
methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613051
2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide
CID 70187609
N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide
CID 115695655

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide (CID 113096741) is 2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NC1CCc2c(c3ccccc3n2C)C1.
What is the InChIKey of 2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide?
The InChIKey is ZAMLRSHIHUCQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14-7-3-6-10-20(14)25(23,24)21-15-11-12-19-17(13-15)16-8-4-5-9-18(16)22(19)2/h3-10,15,21H,11-13H2,1-2H3.
What are the key properties of 2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide?
2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide has a molecular weight of 354.48 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 113096741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).