2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide

C11H15ClN2O3S2 — CID 18474632

IUPAC2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C11H15ClN2O3S2/c1-18-7-6-10(11(13)15)14-19(16,17)9-4-2-8(12)3-5-9/h2-5,10,14H,6-7H2,1H3,(H2,13,15)
InChIKeyJNPIPZDMUQYUNN-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.23
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide

2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide (PubChem CID 18474632) has the molecular formula C11H15ClN2O3S2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
PubChem CID18474632
Molecular FormulaC11H15ClN2O3S2
Molecular Weight322.84 g/mol
Exact Mass322.02
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C11H15ClN2O3S2/c1-18-7-6-10(11(13)15)14-19(16,17)9-4-2-8(12)3-5-9/h2-5,10,14H,6-7H2,1H3,(H2,13,15)
InChIKeyJNPIPZDMUQYUNN-UHFFFAOYSA-N
XLogP1.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 5055809
propan-2-yl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 3250513
(3,3-dimethyl-2-oxobutyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2097174
4-chloro-N-[(2R)-1-[2-(3-methylbutanoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 30388461
2-[(4-carbamoylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43241523
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfanylpropanoic acid
CID 7319023
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 4829943
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2404524
(2R)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 35767047
ethyl 2-[4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]acetate
CID 67706855
[2-oxo-2-(N-propan-2-ylanilino)ethyl] (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 41101684
3-[[2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]benzoic acid
CID 19032733

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide (CID 18474632) is 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The InChIKey is JNPIPZDMUQYUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S2/c1-18-7-6-10(11(13)15)14-19(16,17)9-4-2-8(12)3-5-9/h2-5,10,14H,6-7H2,1H3,(H2,13,15).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide?
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide has a molecular weight of 322.84 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 18474632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).