N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide

C13H20N2O4S2 — CID 113065190

IUPACN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCN(C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S2/c1-11-4-3-5-13(10-11)21(18,19)14-8-9-15(12-6-7-12)20(2,16)17/h3-5,10,12,14H,6-9H2,1-2H3
InChIKeyNOVSLWODCSBYJS-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.70
Rot. Bonds7

About N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide

N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide (PubChem CID 113065190) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
PubChem CID113065190
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCN(C2CC2)S(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S2/c1-11-4-3-5-13(10-11)21(18,19)14-8-9-15(12-6-7-12)20(2,16)17/h3-5,10,12,14H,6-9H2,1-2H3
InChIKeyNOVSLWODCSBYJS-UHFFFAOYSA-N
XLogP0.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065161
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113066210
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113065192
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 113065868
3-methyl-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113067479
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
3-[cyclopropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113136268
3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide
CID 55905470
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113065184
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide (CID 113065190) is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCCN(C2CC2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide?
The InChIKey is NOVSLWODCSBYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-11-4-3-5-13(10-11)21(18,19)14-8-9-15(12-6-7-12)20(2,16)17/h3-5,10,12,14H,6-9H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide?
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113065190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).