N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

C19H16ClFN2O3S — CID 20945974

IUPACN-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccc(Cl)cc1F)CCCC3=O
InChIInChI=1S/C19H16ClFN2O3S/c1-10-7-12-16(22-15-3-2-4-17(24)19(12)15)9-18(10)27(25,26)23-14-6-5-11(20)8-13(14)21/h5-9,22-23H,2-4H2,1H3
InChIKeyRDXWUJRDUKZMJK-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.59
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (PubChem CID 20945974) has the molecular formula C19H16ClFN2O3S and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
PubChem CID20945974
Molecular FormulaC19H16ClFN2O3S
Molecular Weight406.87 g/mol
Exact Mass406.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccc(Cl)cc1F)CCCC3=O
InChIInChI=1S/C19H16ClFN2O3S/c1-10-7-12-16(22-15-3-2-4-17(24)19(12)15)9-18(10)27(25,26)23-14-6-5-11(20)8-13(14)21/h5-9,22-23H,2-4H2,1H3
InChIKeyRDXWUJRDUKZMJK-UHFFFAOYSA-N
XLogP4.59
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-fluorophenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20914014
N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945958
3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945966
7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20945923
N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945830
3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946129
N-cyclohexyl-N,3-dimethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945935
N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946203
N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945982
N-(5-chloro-2-methylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913963
N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946163
5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (CID 20945974) is N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is Cc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccc(Cl)cc1F)CCCC3=O.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The InChIKey is RDXWUJRDUKZMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3S/c1-10-7-12-16(22-15-3-2-4-17(24)19(12)15)9-18(10)27(25,26)23-14-6-5-11(20)8-13(14)21/h5-9,22-23H,2-4H2,1H3.
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide has a molecular weight of 406.87 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is sourced from PubChem (CID 20945974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).