4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide

C9H9BrClF2NO3S — CID 113318776

IUPAC4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)F)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H9BrClF2NO3S/c10-5-1-2-8(6(11)3-5)18(16,17)14-4-7(15)9(12)13/h1-3,7,9,14-15H,4H2
InChIKeyQYUQHKBVFWWLBI-UHFFFAOYSA-N
MW364.60 g/mol
LogP2.01
Rot. Bonds5

About 4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide

4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide (PubChem CID 113318776) has the molecular formula C9H9BrClF2NO3S and a molecular weight of 364.60 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
PubChem CID113318776
Molecular FormulaC9H9BrClF2NO3S
Molecular Weight364.60 g/mol
Exact Mass362.91
IUPAC Name4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)F)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H9BrClF2NO3S/c10-5-1-2-8(6(11)3-5)18(16,17)14-4-7(15)9(12)13/h1-3,7,9,14-15H,4H2
InChIKeyQYUQHKBVFWWLBI-UHFFFAOYSA-N
XLogP2.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.60
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 103836787
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 103836927
4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
CID 113271487
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
4-bromo-N-(4-bromo-2-ethylbutyl)-2-chlorobenzenesulfonamide
CID 114298824
4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153584
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834064
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 81095097
4-bromo-2-chloro-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65110641

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide (CID 113318776) is 4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide is O=S(=O)(NCC(O)C(F)F)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is QYUQHKBVFWWLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClF2NO3S/c10-5-1-2-8(6(11)3-5)18(16,17)14-4-7(15)9(12)13/h1-3,7,9,14-15H,4H2.
What are the key properties of 4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide?
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 364.60 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 113318776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).