6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole

C19H18ClNO2S — CID 158423779

IUPAC6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole
SMILESCn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)ccc31)CCCC2
InChIInChI=1S/C19H18ClNO2S/c1-21-18-8-3-2-7-16(18)17-12-15(9-10-19(17)21)24(22,23)14-6-4-5-13(20)11-14/h4-6,9-12H,2-3,7-8H2,1H3
InChIKeyLRTTWUBDVYYTNV-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.54
Rot. Bonds2

About 6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole

6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 158423779) has the molecular formula C19H18ClNO2S and a molecular weight of 359.88 g/mol. Its IUPAC name is 6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole
PubChem CID158423779
Molecular FormulaC19H18ClNO2S
Molecular Weight359.88 g/mol
Exact Mass359.07
IUPAC Name6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole
SMILESCn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)ccc31)CCCC2
InChIInChI=1S/C19H18ClNO2S/c1-21-18-8-3-2-7-16(18)17-12-15(9-10-19(17)21)24(22,23)14-6-4-5-13(20)11-14/h4-6,9-12H,2-3,7-8H2,1H3
InChIKeyLRTTWUBDVYYTNV-UHFFFAOYSA-N
XLogP4.54
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.54
H-Bond Donors ≤ 50
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-(3-chlorophenyl)-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-8-sulfonamide
CID 66806145
(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine
CID 82048401
9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 84613100
6-ethylsulfanyl-9-methyl-1,2,3,4-tetrahydrocarbazole
CID 11776645
3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-methylquinolin-4-one
CID 53337139
5-(benzenesulfonyl)-9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraene;hydrochloride
CID 67173175
5-[(5-chloro-3-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 58258823
5-(3-fluorophenyl)sulfonyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 52913102
3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one
CID 53337141
N-cyclopentyl-3-[(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)sulfonyl]aniline;hydrochloride
CID 67085076
N-ethyl-N-(2-hydroxyethyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 143766405
bis(3-chlorobenzenesulfonate);mercury(2+)
CID 22604170

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole (CID 158423779) is 6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole is Cn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)ccc31)CCCC2.
What is the InChIKey of 6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is LRTTWUBDVYYTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2S/c1-21-18-8-3-2-7-16(18)17-12-15(9-10-19(17)21)24(22,23)14-6-4-5-13(20)11-14/h4-6,9-12H,2-3,7-8H2,1H3.
What are the key properties of 6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole?
6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 359.88 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)sulfonyl-9-methyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 158423779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).