N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide

C21H25N3O2S — CID 54554079

IUPACN-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3[nH]c4c(c3c2)CC(N(C)C)CC4)cc1
InChIInChI=1S/C21H25N3O2S/c1-14-4-8-17(9-5-14)27(25,26)23-15-6-10-20-18(12-15)19-13-16(24(2)3)7-11-21(19)22-20/h4-6,8-10,12,16,22-23H,7,11,13H2,1-3H3
InChIKeyZLYITPHOUHNTGB-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.70
Rot. Bonds4

About N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide

N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide (PubChem CID 54554079) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide
PubChem CID54554079
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3[nH]c4c(c3c2)CC(N(C)C)CC4)cc1
InChIInChI=1S/C21H25N3O2S/c1-14-4-8-17(9-5-14)27(25,26)23-15-6-10-20-18(12-15)19-13-16(24(2)3)7-11-21(19)22-20/h4-6,8-10,12,16,22-23H,7,11,13H2,1-3H3
InChIKeyZLYITPHOUHNTGB-UHFFFAOYSA-N
XLogP3.70
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.70
H-Bond Donors ≤ 52
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-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]cyclopropanecarboxamide
CID 22611246
4-methyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096912
ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
CID 54344220
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;oxalic acid
CID 22611378
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide
CID 54368561
prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
CID 54473685
4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
CID 52946231
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-methylbenzenesulfonate
CID 23470301
4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
CID 169370724
4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide
CID 169372574
6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335228
4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097405

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide (CID 54554079) is N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c4c(c3c2)CC(N(C)C)CC4)cc1.
What is the InChIKey of N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is ZLYITPHOUHNTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-14-4-8-17(9-5-14)27(25,26)23-15-6-10-20-18(12-15)19-13-16(24(2)3)7-11-21(19)22-20/h4-6,8-10,12,16,22-23H,7,11,13H2,1-3H3.
What are the key properties of N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide?
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 383.52 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 54554079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).