2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide

C16H16ClN3O2S — CID 110712008

IUPAC2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCn1c(CCNS(=O)(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C16H16ClN3O2S/c1-20-14-8-4-3-7-13(14)19-16(20)10-11-18-23(21,22)15-9-5-2-6-12(15)17/h2-9,18H,10-11H2,1H3
InChIKeyKPWDJBMETDGSPI-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.75
Rot. Bonds5

About 2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide

2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110712008) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110712008
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCn1c(CCNS(=O)(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C16H16ClN3O2S/c1-20-14-8-4-3-7-13(14)19-16(20)10-11-18-23(21,22)15-9-5-2-6-12(15)17/h2-9,18H,10-11H2,1H3
InChIKeyKPWDJBMETDGSPI-UHFFFAOYSA-N
XLogP2.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide (CID 110712008) is 2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide is Cn1c(CCNS(=O)(=O)c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is KPWDJBMETDGSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-20-14-8-4-3-7-13(14)19-16(20)10-11-18-23(21,22)15-9-5-2-6-12(15)17/h2-9,18H,10-11H2,1H3.
What are the key properties of 2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 349.84 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110712008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).