4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide

C17H18Cl2FNO3S — CID 139932053

IUPAC4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide
SMILESCC(C)[C@@H](O)CN(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2FNO3S/c1-11(2)17(22)10-21(16-9-13(19)5-8-15(16)20)25(23,24)14-6-3-12(18)4-7-14/h3-9,11,17,22H,10H2,1-2H3/t17-/m0/s1
InChIKeyQSPVKRLYTYFDSA-KRWDZBQOSA-N
MW406.31 g/mol
LogP4.34
Rot. Bonds6

About 4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide

4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide (PubChem CID 139932053) has the molecular formula C17H18Cl2FNO3S and a molecular weight of 406.31 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide
PubChem CID139932053
Molecular FormulaC17H18Cl2FNO3S
Molecular Weight406.31 g/mol
Exact Mass405.04
IUPAC Name4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide
SMILESCC(C)[C@@H](O)CN(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2FNO3S/c1-11(2)17(22)10-21(16-9-13(19)5-8-15(16)20)25(23,24)14-6-3-12(18)4-7-14/h3-9,11,17,22H,10H2,1-2H3/t17-/m0/s1
InChIKeyQSPVKRLYTYFDSA-KRWDZBQOSA-N
XLogP4.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4R)-4-bromopentyl]-4-chloro-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 70088605
N-[(3R)-3-bromobutyl]-4-chloro-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 70091590
N-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide
CID 71543525
N-(4-aminobutan-2-yl)-4-chloro-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 22276002
(2R)-N-butyl-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propanamide;methane
CID 157477834
2-[benzenesulfonyl(2-methylpropyl)amino]-5-chlorobenzoyl chloride
CID 91353524
N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide
CID 3806054
4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 22275591
4-chloro-N-(2,5-difluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 57031982
1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
CID 106584897
N-(4-azidobutan-2-yl)-4-chloro-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 22275969
[4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate
CID 70131088

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide (CID 139932053) is 4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide is CC(C)[C@@H](O)CN(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide?
The InChIKey is QSPVKRLYTYFDSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18Cl2FNO3S/c1-11(2)17(22)10-21(16-9-13(19)5-8-15(16)20)25(23,24)14-6-3-12(18)4-7-14/h3-9,11,17,22H,10H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide?
4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide has a molecular weight of 406.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide is sourced from PubChem (CID 139932053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).