2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

C18H19ClN2O3S — CID 1289464

IUPAC2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-13-6-2-3-7-16(13)20-25(23,24)17-12-14(8-9-15(17)19)18(22)21-10-4-5-11-21/h2-3,6-9,12,20H,4-5,10-11H2,1H3
InChIKeyICEZRRFCTQUWMK-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.69
Rot. Bonds4

About 2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 1289464) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID1289464
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-13-6-2-3-7-16(13)20-25(23,24)17-12-14(8-9-15(17)19)18(22)21-10-4-5-11-21/h2-3,6-9,12,20H,4-5,10-11H2,1H3
InChIKeyICEZRRFCTQUWMK-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 1289464) is 2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is ICEZRRFCTQUWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-6-2-3-7-16(13)20-25(23,24)17-12-14(8-9-15(17)19)18(22)21-10-4-5-11-21/h2-3,6-9,12,20H,4-5,10-11H2,1H3.
What are the key properties of 2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 378.88 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 1289464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).