3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide

C12H17ClN2O3S — CID 27648389

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-9(2)15-12(16)6-7-14-19(17,18)11-5-3-4-10(13)8-11/h3-5,8-9,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyRVSCIBTWWCHTJN-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.53
Rot. Bonds6

About 3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide

3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide (PubChem CID 27648389) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
PubChem CID27648389
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-9(2)15-12(16)6-7-14-19(17,18)11-5-3-4-10(13)8-11/h3-5,8-9,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyRVSCIBTWWCHTJN-UHFFFAOYSA-N
XLogP1.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide
CID 46515955
3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 115581954
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propan-2-ylguanidine
CID 111043974
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide
CID 55933558
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414686
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 30132724

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide (CID 27648389) is 3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The InChIKey is RVSCIBTWWCHTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-9(2)15-12(16)6-7-14-19(17,18)11-5-3-4-10(13)8-11/h3-5,8-9,14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide has a molecular weight of 304.80 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 27648389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).