4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide

C13H19ClN2O2S — CID 63389826

IUPAC4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CCCl)C2CC2)cc1
InChIInChI=1S/C13H19ClN2O2S/c1-15(2)19(17,18)13-7-5-12(6-8-13)16(10-9-14)11-3-4-11/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeySLJPWBGROYOHRX-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.14
Rot. Bonds6

About 4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide

4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 63389826) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID63389826
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CCCl)C2CC2)cc1
InChIInChI=1S/C13H19ClN2O2S/c1-15(2)19(17,18)13-7-5-12(6-8-13)16(10-9-14)11-3-4-11/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeySLJPWBGROYOHRX-UHFFFAOYSA-N
XLogP2.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylaniline
CID 63388693
4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 63300290
N-(2-bromoethyl)-N-cyclopropyl-4-propylsulfonylaniline
CID 80667657
4-[(2-bromocyclohexyl)-methylamino]-N,N-dimethylbenzenesulfonamide
CID 102637610
N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642118
N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 55241222
4-(3-chloroprop-1-enyl)-N,N-dimethylbenzenesulfonamide
CID 54136766
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
6-[3-bromopropyl(cyclobutyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341450
3-(N-cyclopropyl-4-propylsulfonylanilino)propanoic acid
CID 60829331
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
CID 107320547
6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341349

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide (CID 63389826) is 4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N(CCCl)C2CC2)cc1.
What is the InChIKey of 4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is SLJPWBGROYOHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-15(2)19(17,18)13-7-5-12(6-8-13)16(10-9-14)11-3-4-11/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide?
4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63389826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).