N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide

C12H18N2O4S2 — CID 60919052

IUPACN-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
SMILESCS(=O)(=O)CCNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C12H18N2O4S2/c1-19(15,16)9-8-13-10-4-6-12(7-5-10)20(17,18)14-11-2-3-11/h4-7,11,13-14H,2-3,8-9H2,1H3
InChIKeyCDEKOKABBJEGOD-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.58
Rot. Bonds7

About N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide

N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide (PubChem CID 60919052) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
PubChem CID60919052
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
SMILESCS(=O)(=O)CCNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C12H18N2O4S2/c1-19(15,16)9-8-13-10-4-6-12(7-5-10)20(17,18)14-11-2-3-11/h4-7,11,13-14H,2-3,8-9H2,1H3
InChIKeyCDEKOKABBJEGOD-UHFFFAOYSA-N
XLogP0.58
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
CID 64910863
N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide
CID 116644409
3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926612
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cyclopropyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzenesulfonamide
CID 106404388
4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 23104459
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 82873492
N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 106382169
4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
CID 43653616

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide (CID 60919052) is N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide is CS(=O)(=O)CCNc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide?
The InChIKey is CDEKOKABBJEGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-19(15,16)9-8-13-10-4-6-12(7-5-10)20(17,18)14-11-2-3-11/h4-7,11,13-14H,2-3,8-9H2,1H3.
What are the key properties of N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide?
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide is sourced from PubChem (CID 60919052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).