N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide

C21H21ClN2O3S — CID 20945830

IUPACN-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccccc1Cl)CC(C)(C)CC3=O
InChIInChI=1S/C21H21ClN2O3S/c1-12-8-13-16(23-17-10-21(2,3)11-18(25)20(13)17)9-19(12)28(26,27)24-15-7-5-4-6-14(15)22/h4-9,23-24H,10-11H2,1-3H3
InChIKeyBGYIPKCJAXUHPM-UHFFFAOYSA-N
MW416.93 g/mol
LogP5.09
Rot. Bonds3

About N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide

N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (PubChem CID 20945830) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
PubChem CID20945830
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC NameN-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccccc1Cl)CC(C)(C)CC3=O
InChIInChI=1S/C21H21ClN2O3S/c1-12-8-13-16(23-17-10-21(2,3)11-18(25)20(13)17)9-19(12)28(26,27)24-15-7-5-4-6-14(15)22/h4-9,23-24H,10-11H2,1-3H3
InChIKeyBGYIPKCJAXUHPM-UHFFFAOYSA-N
XLogP5.09
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.93
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 20945775
N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945852
N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945974
N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945827
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15577770
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 99978057
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
CID 7938602
N-(2-chloro-4-methylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913993
3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945966
N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945958

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (CID 20945830) is N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is Cc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccccc1Cl)CC(C)(C)CC3=O.
What is the InChIKey of N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The InChIKey is BGYIPKCJAXUHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-12-8-13-16(23-17-10-21(2,3)11-18(25)20(13)17)9-19(12)28(26,27)24-15-7-5-4-6-14(15)22/h4-9,23-24H,10-11H2,1-3H3.
What are the key properties of N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide has a molecular weight of 416.93 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is sourced from PubChem (CID 20945830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).