N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide

C21H22ClNO5S2 — CID 16829630

IUPACN-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C21H22ClNO5S2/c1-14-11-15(2)21(16(3)12-14)30(26,27)23-13-20(19-5-4-10-28-19)29(24,25)18-8-6-17(22)7-9-18/h4-12,20,23H,13H2,1-3H3
InChIKeyCXAHRTFVPKXECD-UHFFFAOYSA-N
MW468.00 g/mol
LogP4.35
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide

N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 16829630) has the molecular formula C21H22ClNO5S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID16829630
Molecular FormulaC21H22ClNO5S2
Molecular Weight468.00 g/mol
Exact Mass467.06
IUPAC NameN-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C21H22ClNO5S2/c1-14-11-15(2)21(16(3)12-14)30(26,27)23-13-20(19-5-4-10-28-19)29(24,25)18-8-6-17(22)7-9-18/h4-12,20,23H,13H2,1-3H3
InChIKeyCXAHRTFVPKXECD-UHFFFAOYSA-N
XLogP4.35
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193116
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 41193089
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 41193078
4-fluoro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 41193186
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
CID 7268396
4-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40775182
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 41193057
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]azanium
CID 9161700
3-fluoro-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-methoxybenzenesulfonamide
CID 40775184
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 18574109
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 7268165
2,4,6-trimethyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193478

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide (CID 16829630) is N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC(c2ccco2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is CXAHRTFVPKXECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO5S2/c1-14-11-15(2)21(16(3)12-14)30(26,27)23-13-20(19-5-4-10-28-19)29(24,25)18-8-6-17(22)7-9-18/h4-12,20,23H,13H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 468.00 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 16829630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).