4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide

C9H11BrClNO4S — CID 65313988

IUPAC4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC(CO)CO)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H11BrClNO4S/c10-6-1-2-9(8(11)3-6)17(15,16)12-7(4-13)5-14/h1-3,7,12-14H,4-5H2
InChIKeyCZHZIJDBSCOKEK-UHFFFAOYSA-N
MW344.61 g/mol
LogP0.73
Rot. Bonds5

About 4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide

4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide (PubChem CID 65313988) has the molecular formula C9H11BrClNO4S and a molecular weight of 344.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
PubChem CID65313988
Molecular FormulaC9H11BrClNO4S
Molecular Weight344.61 g/mol
Exact Mass342.93
IUPAC Name4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC(CO)CO)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H11BrClNO4S/c10-6-1-2-9(8(11)3-6)17(15,16)12-7(4-13)5-14/h1-3,7,12-14H,4-5H2
InChIKeyCZHZIJDBSCOKEK-UHFFFAOYSA-N
XLogP0.73
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
CID 43405405
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097
2-[(4-bromo-2-chlorophenyl)sulfonylamino]butanethioamide
CID 61122645
4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084164
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47203596

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide (CID 65313988) is 4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide is O=S(=O)(NC(CO)CO)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is CZHZIJDBSCOKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO4S/c10-6-1-2-9(8(11)3-6)17(15,16)12-7(4-13)5-14/h1-3,7,12-14H,4-5H2.
What are the key properties of 4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide?
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 344.61 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65313988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).