2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide

C19H23ClN2O3S — CID 126120768

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
SMILESCCCCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-12-21-19(23)14-22(18-13-16(20)11-10-15(18)2)26(24,25)17-8-6-5-7-9-17/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)
InChIKeyHPXGQIVGGFVZSH-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.76
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide (PubChem CID 126120768) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
PubChem CID126120768
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
SMILESCCCCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-12-21-19(23)14-22(18-13-16(20)11-10-15(18)2)26(24,25)17-8-6-5-7-9-17/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)
InChIKeyHPXGQIVGGFVZSH-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
CID 126415552
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-prop-2-enylacetamide
CID 3138947
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclopentyloxypropyl)acetamide
CID 30207049
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetic acid
CID 872896
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343675
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-cyclohexyloxypropyl)acetamide
CID 30207045
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[3-[(4-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 30207040
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 30206906
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126139467
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetate
CID 7454068
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(1-phenylpropyl)acetamide
CID 43902090
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
CID 2221414

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide (CID 126120768) is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide is CCCCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide?
The InChIKey is HPXGQIVGGFVZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-4-12-21-19(23)14-22(18-13-16(20)11-10-15(18)2)26(24,25)17-8-6-5-7-9-17/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide has a molecular weight of 394.92 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide is sourced from PubChem (CID 126120768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).