4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide

C10H13BrClNO3S — CID 82714564

IUPAC4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)CONS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO3S/c1-7(2)6-16-13-17(14,15)10-4-3-8(11)5-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyYOQRZYGWXPZGIO-UHFFFAOYSA-N
MW342.64 g/mol
LogP2.97
Rot. Bonds5

About 4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide

4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide (PubChem CID 82714564) has the molecular formula C10H13BrClNO3S and a molecular weight of 342.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide
PubChem CID82714564
Molecular FormulaC10H13BrClNO3S
Molecular Weight342.64 g/mol
Exact Mass340.95
IUPAC Name4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)CONS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO3S/c1-7(2)6-16-13-17(14,15)10-4-3-8(11)5-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyYOQRZYGWXPZGIO-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
CID 82715356
4-bromo-N-(2-bromo-3-methoxypropyl)-2-chlorobenzenesulfonamide
CID 113271487
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
2-chloro-N-(2-methylpropoxy)-5-methylsulfonylbenzenesulfonamide
CID 82715577
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide
CID 62090104
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097
2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714913
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide (CID 82714564) is 4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide is CC(C)CONS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is YOQRZYGWXPZGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S/c1-7(2)6-16-13-17(14,15)10-4-3-8(11)5-9(10)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide?
4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 342.64 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 82714564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).