4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide

C10H13BrClNO2S — CID 42997510

IUPAC4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO2S/c1-3-7(2)13-16(14,15)10-5-4-8(11)6-9(10)12/h4-7,13H,3H2,1-2H3
InChIKeyBRBDRCMLUKIARX-UHFFFAOYSA-N
MW326.64 g/mol
LogP3.18
Rot. Bonds4

About 4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide

4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide (PubChem CID 42997510) has the molecular formula C10H13BrClNO2S and a molecular weight of 326.64 g/mol. Its IUPAC name is 4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
PubChem CID42997510
Molecular FormulaC10H13BrClNO2S
Molecular Weight326.64 g/mol
Exact Mass324.95
IUPAC Name4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO2S/c1-3-7(2)13-16(14,15)10-5-4-8(11)6-9(10)12/h4-7,13H,3H2,1-2H3
InChIKeyBRBDRCMLUKIARX-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.64
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
CID 47142063
4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide
CID 62090104
4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
CID 95246466
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097
2-[(4-bromo-2-chlorophenyl)sulfonylamino]butanethioamide
CID 61122645
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43084117
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide (CID 42997510) is 4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide?
The InChIKey is BRBDRCMLUKIARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S/c1-3-7(2)13-16(14,15)10-5-4-8(11)6-9(10)12/h4-7,13H,3H2,1-2H3.
What are the key properties of 4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide?
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide has a molecular weight of 326.64 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide is sourced from PubChem (CID 42997510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).