3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide

C19H19ClN2O3S — CID 113096614

IUPAC3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccccc4c3C2)cc1Cl
InChIInChI=1S/C19H19ClN2O3S/c1-25-19-9-7-13(11-16(19)20)26(23,24)22-12-6-8-18-15(10-12)14-4-2-3-5-17(14)21-18/h2-5,7,9,11-12,21-22H,6,8,10H2,1H3
InChIKeyYDANBPMRZYQDQD-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.67
Rot. Bonds4

About 3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide

3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide (PubChem CID 113096614) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
PubChem CID113096614
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccccc4c3C2)cc1Cl
InChIInChI=1S/C19H19ClN2O3S/c1-25-19-9-7-13(11-16(19)20)26(23,24)22-12-6-8-18-15(10-12)14-4-2-3-5-17(14)21-18/h2-5,7,9,11-12,21-22H,6,8,10H2,1H3
InChIKeyYDANBPMRZYQDQD-UHFFFAOYSA-N
XLogP3.67
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.67
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

3,4-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096590
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-[4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylsulfamoyl)phenoxy]benzenesulfonamide
CID 44759054
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097090
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide
CID 113097106
2,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096592
4-methyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096912
5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
CID 113096612
4-ethyl-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097097
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
CID 113097011
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113096937

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide (CID 113096614) is 3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccccc4c3C2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The InChIKey is YDANBPMRZYQDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-25-19-9-7-13(11-16(19)20)26(23,24)22-12-6-8-18-15(10-12)14-4-2-3-5-17(14)21-18/h2-5,7,9,11-12,21-22H,6,8,10H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide has a molecular weight of 390.89 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 113096614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).