N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide

C12H17ClN2O2S — CID 106060415

IUPACN-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c1-9(8-14-11-5-6-11)18(16,17)15-12-4-2-3-10(13)7-12/h2-4,7,9,11,14-15H,5-6,8H2,1H3
InChIKeyXFBGCEUQMVVCGF-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.22
Rot. Bonds6

About N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide

N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide (PubChem CID 106060415) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
PubChem CID106060415
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c1-9(8-14-11-5-6-11)18(16,17)15-12-4-2-3-10(13)7-12/h2-4,7,9,11,14-15H,5-6,8H2,1H3
InChIKeyXFBGCEUQMVVCGF-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
CID 106030643
N-(5-chloro-2-methoxyphenyl)-1-(cyclopropylamino)propane-2-sulfonamide
CID 106059597
1-(cyclopropylamino)-N-(4-methoxyphenyl)propane-2-sulfonamide
CID 106031224
1-(cyclopropylamino)-N-(4-propylphenyl)propane-2-sulfonamide
CID 106026307
1-(cyclopropylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086856
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
CID 106018688
N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
CID 62559395
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
1-(azetidin-2-yl)-N-(3-chlorophenyl)methanesulfonamide
CID 115071237
1-(cyclopropylamino)-N-(4-methoxy-2-methylphenyl)propane-2-sulfonamide
CID 106056014
1-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)propane-2-sulfonamide
CID 106058868

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide (CID 106060415) is N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
The InChIKey is XFBGCEUQMVVCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-9(8-14-11-5-6-11)18(16,17)15-12-4-2-3-10(13)7-12/h2-4,7,9,11,14-15H,5-6,8H2,1H3.
What are the key properties of N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide?
N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(cyclopropylamino)propane-2-sulfonamide is sourced from PubChem (CID 106060415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).