2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide

C18H19ClN2O4S — CID 110352678

IUPAC2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCC1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-13-12-25-11-10-21(13)18(22)14-6-8-15(9-7-14)20-26(23,24)17-5-3-2-4-16(17)19/h2-9,13,20H,10-12H2,1H3
InChIKeyQUXDUXDNKBIANV-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide

2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 110352678) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID110352678
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCC1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-13-12-25-11-10-21(13)18(22)14-6-8-15(9-7-14)20-26(23,24)17-5-3-2-4-16(17)19/h2-9,13,20H,10-12H2,1H3
InChIKeyQUXDUXDNKBIANV-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
CID 110352653
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
CID 110604977
2-(4-chlorophenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352615
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
CID 110614350
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide
CID 16623903
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110352618
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 43429048
(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 47168279
1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110671803
2-(2-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671851
2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide
CID 110637491

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 110352678) is 2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide is CC1COCCN1C(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is QUXDUXDNKBIANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-13-12-25-11-10-21(13)18(22)14-6-8-15(9-7-14)20-26(23,24)17-5-3-2-4-16(17)19/h2-9,13,20H,10-12H2,1H3.
What are the key properties of 2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110352678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).