4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

C18H19ClN2O4S — CID 99637235

IUPAC4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-13-2-3-14(18(22)21-8-10-25-11-9-21)12-17(13)20-26(23,24)16-6-4-15(19)5-7-16/h2-7,12,20H,8-11H2,1H3
InChIKeyPOJVEIQTBPZSKY-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.92
Rot. Bonds4

About 4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 99637235) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID99637235
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-13-2-3-14(18(22)21-8-10-25-11-9-21)12-17(13)20-26(23,24)16-6-4-15(19)5-7-16/h2-7,12,20H,8-11H2,1H3
InChIKeyPOJVEIQTBPZSKY-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132773
4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid
CID 130296898
3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
CID 1407609
N-[5-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 55685272
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 10320106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 99637235) is 4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(C(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is POJVEIQTBPZSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-13-2-3-14(18(22)21-8-10-25-11-9-21)12-17(13)20-26(23,24)16-6-4-15(19)5-7-16/h2-7,12,20H,8-11H2,1H3.
What are the key properties of 4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 99637235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).