N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide

C15H15BrClNO2S — CID 155161927

IUPACN-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCc1cccc(Br)c1
InChIInChI=1S/C15H15BrClNO2S/c1-11-14(17)6-3-7-15(11)21(19,20)18-9-8-12-4-2-5-13(16)10-12/h2-7,10,18H,8-9H2,1H3
InChIKeyPAHUJJTZICFPRX-UHFFFAOYSA-N
MW388.71 g/mol
LogP3.93
Rot. Bonds5

About N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide

N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide (PubChem CID 155161927) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide
PubChem CID155161927
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC NameN-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCc1cccc(Br)c1
InChIInChI=1S/C15H15BrClNO2S/c1-11-14(17)6-3-7-15(11)21(19,20)18-9-8-12-4-2-5-13(16)10-12/h2-7,10,18H,8-9H2,1H3
InChIKeyPAHUJJTZICFPRX-UHFFFAOYSA-N
XLogP3.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide (CID 155161927) is N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCCc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide?
The InChIKey is PAHUJJTZICFPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-11-14(17)6-3-7-15(11)21(19,20)18-9-8-12-4-2-5-13(16)10-12/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide?
N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide has a molecular weight of 388.71 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 155161927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).