N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide

C15H15BrClNO2S — CID 32675568

IUPACN-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H15BrClNO2S/c1-11-3-8-15(14(17)9-11)21(19,20)18(2)10-12-4-6-13(16)7-5-12/h3-9H,10H2,1-2H3
InChIKeyPOFBAUOOQSCWCC-UHFFFAOYSA-N
MW388.71 g/mol
LogP4.23
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide

N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide (PubChem CID 32675568) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
PubChem CID32675568
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC NameN-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H15BrClNO2S/c1-11-3-8-15(14(17)9-11)21(19,20)18(2)10-12-4-6-13(16)7-5-12/h3-9H,10H2,1-2H3
InChIKeyPOFBAUOOQSCWCC-UHFFFAOYSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 61107779
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105733
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61106294
4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43256596
N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 7937766
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 46403132
N-(4-bromo-2-methylphenyl)-2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]acetamide
CID 32676028
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 115611951

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide (CID 32675568) is N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide?
The InChIKey is POFBAUOOQSCWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-11-3-8-15(14(17)9-11)21(19,20)18(2)10-12-4-6-13(16)7-5-12/h3-9H,10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide?
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide has a molecular weight of 388.71 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 32675568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).