N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide

C10H13BrClNO2S — CID 104556414

IUPACN-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide
SMILESCC(CBr)N(C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H13BrClNO2S/c1-8(7-11)13(2)16(14,15)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3
InChIKeyORLZXCQEFZBAQD-UHFFFAOYSA-N
MW326.64 g/mol
LogP2.74
Rot. Bonds4

About N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide

N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide (PubChem CID 104556414) has the molecular formula C10H13BrClNO2S and a molecular weight of 326.64 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide
PubChem CID104556414
Molecular FormulaC10H13BrClNO2S
Molecular Weight326.64 g/mol
Exact Mass324.95
IUPAC NameN-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide
SMILESCC(CBr)N(C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H13BrClNO2S/c1-8(7-11)13(2)16(14,15)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3
InChIKeyORLZXCQEFZBAQD-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.64
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromopropan-2-yl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 104556395
2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide
CID 21284138
2-[1-bromopropan-2-yl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 113426409
N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide
CID 104556434
N-(2-bromoethyl)-N-butyl-2-chlorobenzenesulfonamide
CID 80668725
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide
CID 119982528
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 110726799
N-(1-chloropropan-2-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 104556465
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119982527
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387781

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide (CID 104556414) is N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide is CC(CBr)N(C)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide?
The InChIKey is ORLZXCQEFZBAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S/c1-8(7-11)13(2)16(14,15)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide?
N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide has a molecular weight of 326.64 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 104556414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).