4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide

C16H19ClN2O4S2 — CID 22036168

IUPAC4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
SMILESCS(=O)(=O)CCN(Cc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19ClN2O4S2/c1-24(20,21)11-10-19(12-13-4-2-3-5-16(13)17)14-6-8-15(9-7-14)25(18,22)23/h2-9H,10-12H2,1H3,(H2,18,22,23)
InChIKeyMTPOPNGKXBLPLQ-UHFFFAOYSA-N
MW402.93 g/mol
LogP2.04
Rot. Bonds7

About 4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide

4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide (PubChem CID 22036168) has the molecular formula C16H19ClN2O4S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
PubChem CID22036168
Molecular FormulaC16H19ClN2O4S2
Molecular Weight402.93 g/mol
Exact Mass402.05
IUPAC Name4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
SMILESCS(=O)(=O)CCN(Cc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19ClN2O4S2/c1-24(20,21)11-10-19(12-13-4-2-3-5-16(13)17)14-6-8-15(9-7-14)25(18,22)23/h2-9H,10-12H2,1H3,(H2,18,22,23)
InChIKeyMTPOPNGKXBLPLQ-UHFFFAOYSA-N
XLogP2.04
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 58685945
CID 58685945
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
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N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
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N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine
CID 28771174
N-[(2,4-difluorophenyl)methyl]-N-(2-methylsulfonylethyl)aniline
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4-[(4-aminophenyl)methyl-ethylamino]benzenesulfonamide
CID 60875699
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191
2-chloro-6-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 112553470
2-(2-chlorophenyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 27758673
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-4-nitroaniline
CID 62209688
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
(2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine
CID 124559501

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide (CID 22036168) is 4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide is CS(=O)(=O)CCN(Cc1ccccc1Cl)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide?
The InChIKey is MTPOPNGKXBLPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S2/c1-24(20,21)11-10-19(12-13-4-2-3-5-16(13)17)14-6-8-15(9-7-14)25(18,22)23/h2-9H,10-12H2,1H3,(H2,18,22,23).
What are the key properties of 4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide?
4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide has a molecular weight of 402.93 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide is sourced from PubChem (CID 22036168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).