1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide

C12H16Cl2N2O2S — CID 106030643

IUPAC1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-8(7-15-9-5-6-9)19(17,18)16-11-4-2-3-10(13)12(11)14/h2-4,8-9,15-16H,5-7H2,1H3
InChIKeyQVSUCSQNISKPJL-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.88
Rot. Bonds6

About 1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide

1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide (PubChem CID 106030643) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
PubChem CID106030643
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide
SMILESCC(CNC1CC1)S(=O)(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-8(7-15-9-5-6-9)19(17,18)16-11-4-2-3-10(13)12(11)14/h2-4,8-9,15-16H,5-7H2,1H3
InChIKeyQVSUCSQNISKPJL-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)amino]ethanesulfonyl Fluoride
CID 4738192
N-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972103
N-(5-chloro-2-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972124
N-(2-chloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972167
N-(5-chloro-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972173
N-(5-chloro-2-fluorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972174
N-(2-chloro-4-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972216
N-(2-chloro-4-fluorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972217
N-(3-chloro-2-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972313
N-(3-chloro-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972365
N-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972366
N-(4-chloro-2-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972559

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide (CID 106030643) is 1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide is CC(CNC1CC1)S(=O)(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide?
The InChIKey is QVSUCSQNISKPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-8(7-15-9-5-6-9)19(17,18)16-11-4-2-3-10(13)12(11)14/h2-4,8-9,15-16H,5-7H2,1H3.
What are the key properties of 1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide?
1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide has a molecular weight of 323.25 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-2-sulfonamide is sourced from PubChem (CID 106030643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).