2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide

C28H24ClN3O3S — CID 46772876

IUPAC2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3Cl)ccc21
InChIInChI=1S/C28H24ClN3O3S/c1-3-32-26-7-5-4-6-22(26)23-16-19(11-15-27(23)32)30-28(33)24-17-20(10-14-25(24)29)31-36(34,35)21-12-8-18(2)9-13-21/h4-17,31H,3H2,1-2H3,(H,30,33)
InChIKeyLEMKFOATYQUBNQ-UHFFFAOYSA-N
MW518.04 g/mol
LogP6.83
Rot. Bonds6

About 2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide

2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 46772876) has the molecular formula C28H24ClN3O3S and a molecular weight of 518.04 g/mol. Its IUPAC name is 2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID46772876
Molecular FormulaC28H24ClN3O3S
Molecular Weight518.04 g/mol
Exact Mass517.12
IUPAC Name2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3Cl)ccc21
InChIInChI=1S/C28H24ClN3O3S/c1-3-32-26-7-5-4-6-22(26)23-16-19(11-15-27(23)32)30-28(33)24-17-20(10-14-25(24)29)31-36(34,35)21-12-8-18(2)9-13-21/h4-17,31H,3H2,1-2H3,(H,30,33)
InChIKeyLEMKFOATYQUBNQ-UHFFFAOYSA-N
XLogP6.83
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.04
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
N-(9-ethylcarbazol-3-yl)-4-methoxybenzenesulfonamide
CID 1048274
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 28572809
methyl 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 92681606
N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-chloro-N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772238
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate
CID 92685301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide (CID 46772876) is 2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide is CCn1c2ccccc2c2cc(NC(=O)c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is LEMKFOATYQUBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O3S/c1-3-32-26-7-5-4-6-22(26)23-16-19(11-15-27(23)32)30-28(33)24-17-20(10-14-25(24)29)31-36(34,35)21-12-8-18(2)9-13-21/h4-17,31H,3H2,1-2H3,(H,30,33).
What are the key properties of 2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide?
2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 518.04 g/mol, XLogP of 6.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(9-ethylcarbazol-3-yl)-5-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46772876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).