5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide

C17H21ClN2O4S2 — CID 4022271

IUPAC5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1C
InChIInChI=1S/C17H21ClN2O4S2/c1-4-20(5-2)26(23,24)17-12-15(10-9-13(17)3)19-25(21,22)16-8-6-7-14(18)11-16/h6-12,19H,4-5H2,1-3H3
InChIKeyYQNBJHXONSPDHP-UHFFFAOYSA-N
MW416.95 g/mol
LogP3.48
Rot. Bonds7

About 5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide

5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide (PubChem CID 4022271) has the molecular formula C17H21ClN2O4S2 and a molecular weight of 416.95 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
PubChem CID4022271
Molecular FormulaC17H21ClN2O4S2
Molecular Weight416.95 g/mol
Exact Mass416.06
IUPAC Name5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1C
InChIInChI=1S/C17H21ClN2O4S2/c1-4-20(5-2)26(23,24)17-12-15(10-9-13(17)3)19-25(21,22)16-8-6-7-14(18)11-16/h6-12,19H,4-5H2,1-3H3
InChIKeyYQNBJHXONSPDHP-UHFFFAOYSA-N
XLogP3.48
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide (CID 4022271) is 5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1C.
What is the InChIKey of 5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide?
The InChIKey is YQNBJHXONSPDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S2/c1-4-20(5-2)26(23,24)17-12-15(10-9-13(17)3)19-25(21,22)16-8-6-7-14(18)11-16/h6-12,19H,4-5H2,1-3H3.
What are the key properties of 5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide?
5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide has a molecular weight of 416.95 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 4022271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).