4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide

C15H23ClN2O3S — CID 100636885

IUPAC4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CCCN(C)S(=O)(=O)c1cc(C(C)C)ccc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-11(2)12-7-8-13(16)14(10-12)22(20,21)18(4)9-5-6-15(19)17-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,19)
InChIKeyBNMHVYOXNZFFFZ-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.61
Rot. Bonds7

About 4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide

4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide (PubChem CID 100636885) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide
PubChem CID100636885
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide
SMILESCNC(=O)CCCN(C)S(=O)(=O)c1cc(C(C)C)ccc1Cl
InChIInChI=1S/C15H23ClN2O3S/c1-11(2)12-7-8-13(16)14(10-12)22(20,21)18(4)9-5-6-15(19)17-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,19)
InChIKeyBNMHVYOXNZFFFZ-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid
CID 43235943
N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596037
4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 120968663
N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide
CID 110757591
3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 103644791
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106914013
methyl 3-[(5-amino-2-chlorophenyl)sulfonyl-methylamino]propanoate
CID 54997716
4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
CID 7470552
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
CID 29290326
4-chloro-3-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271122
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
methyl 3-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-methylamino]propanoate
CID 55905314

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide?
The IUPAC name of 4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide (CID 100636885) is 4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide?
The canonical SMILES for 4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide is CNC(=O)CCCN(C)S(=O)(=O)c1cc(C(C)C)ccc1Cl.
What is the InChIKey of 4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide?
The InChIKey is BNMHVYOXNZFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-11(2)12-7-8-13(16)14(10-12)22(20,21)18(4)9-5-6-15(19)17-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,19).
What are the key properties of 4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide?
4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide has a molecular weight of 346.88 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 100636885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).