N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

C19H19ClN2O2S — CID 20909745

IUPACN-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C19H19ClN2O2S/c1-12-16(20)6-4-8-17(12)22-25(23,24)13-9-10-19-15(11-13)14-5-2-3-7-18(14)21-19/h4,6,8-11,21-22H,2-3,5,7H2,1H3
InChIKeyPPURDYNJUMWTNI-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.81
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (PubChem CID 20909745) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
PubChem CID20909745
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C19H19ClN2O2S/c1-12-16(20)6-4-8-17(12)22-25(23,24)13-9-10-19-15(11-13)14-5-2-3-7-18(14)21-19/h4,6,8-11,21-22H,2-3,5,7H2,1H3
InChIKeyPPURDYNJUMWTNI-UHFFFAOYSA-N
XLogP4.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (CID 20909745) is N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The InChIKey is PPURDYNJUMWTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-12-16(20)6-4-8-17(12)22-25(23,24)13-9-10-19-15(11-13)14-5-2-3-7-18(14)21-19/h4,6,8-11,21-22H,2-3,5,7H2,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide has a molecular weight of 374.89 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is sourced from PubChem (CID 20909745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).