2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

C13H17ClN2O4S — CID 3409401

IUPAC2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H17ClN2O4S/c1-10-2-3-11(15-13(17)9-14)8-12(10)21(18,19)16-4-6-20-7-5-16/h2-3,8H,4-7,9H2,1H3,(H,15,17)
InChIKeyTYWISOYVVPNNAL-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.19
Rot. Bonds4

About 2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 3409401) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID3409401
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H17ClN2O4S/c1-10-2-3-11(15-13(17)9-14)8-12(10)21(18,19)16-4-6-20-7-5-16/h2-3,8H,4-7,9H2,1H3,(H,15,17)
InChIKeyTYWISOYVVPNNAL-UHFFFAOYSA-N
XLogP1.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16523782
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032
3-(benzenesulfonyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4966347
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512
1-O-methyl 4-O-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 41447276
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide
CID 24620415
3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 46686125
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 16515870

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 3409401) is 2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is TYWISOYVVPNNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-10-2-3-11(15-13(17)9-14)8-12(10)21(18,19)16-4-6-20-7-5-16/h2-3,8H,4-7,9H2,1H3,(H,15,17).
What are the key properties of 2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 332.81 g/mol, XLogP of 1.19, 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-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3409401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).