2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide

C15H23ClN2O4S2 — CID 113065880

IUPAC2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H23ClN2O4S2/c1-23(19,20)18(13-7-3-2-4-8-13)12-11-17-24(21,22)15-10-6-5-9-14(15)16/h5-6,9-10,13,17H,2-4,7-8,11-12H2,1H3
InChIKeyPKURNPPEUPZUMA-UHFFFAOYSA-N
MW394.95 g/mol
LogP2.21
Rot. Bonds7

About 2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide

2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide (PubChem CID 113065880) has the molecular formula C15H23ClN2O4S2 and a molecular weight of 394.95 g/mol. Its IUPAC name is 2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
PubChem CID113065880
Molecular FormulaC15H23ClN2O4S2
Molecular Weight394.95 g/mol
Exact Mass394.08
IUPAC Name2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H23ClN2O4S2/c1-23(19,20)18(13-7-3-2-4-8-13)12-11-17-24(21,22)15-10-6-5-9-14(15)16/h5-6,9-10,13,17H,2-4,7-8,11-12H2,1H3
InChIKeyPKURNPPEUPZUMA-UHFFFAOYSA-N
XLogP2.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide (CID 113065880) is 2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide is CS(=O)(=O)N(CCNS(=O)(=O)c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The InChIKey is PKURNPPEUPZUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S2/c1-23(19,20)18(13-7-3-2-4-8-13)12-11-17-24(21,22)15-10-6-5-9-14(15)16/h5-6,9-10,13,17H,2-4,7-8,11-12H2,1H3.
What are the key properties of 2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide has a molecular weight of 394.95 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113065880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).