2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

C27H22ClN3O2S — CID 46379549

IUPAC2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C27H22ClN3O2S/c28-23-10-4-7-13-26(23)34(32,33)30-21-17-14-20(15-18-21)16-19-27-29-24-11-5-6-12-25(24)31(27)22-8-2-1-3-9-22/h1-15,17-18,30H,16,19H2
InChIKeyABMFHDUMQHINRI-UHFFFAOYSA-N
MW488.01 g/mol
LogP6.26
Rot. Bonds7

About 2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 46379549) has the molecular formula C27H22ClN3O2S and a molecular weight of 488.01 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID46379549
Molecular FormulaC27H22ClN3O2S
Molecular Weight488.01 g/mol
Exact Mass487.11
IUPAC Name2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C27H22ClN3O2S/c28-23-10-4-7-13-26(23)34(32,33)30-21-17-14-20(15-18-21)16-19-27-29-24-11-5-6-12-25(24)31(27)22-8-2-1-3-9-22/h1-15,17-18,30H,16,19H2
InChIKeyABMFHDUMQHINRI-UHFFFAOYSA-N
XLogP6.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.01
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972167
2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide
CID 65031108
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290501
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide
CID 46290496
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 50822902
(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 92866618
1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382241
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 110712008
1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
3-chloro-2-methyl-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 59018209

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (CID 46379549) is 2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is ABMFHDUMQHINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O2S/c28-23-10-4-7-13-26(23)34(32,33)30-21-17-14-20(15-18-21)16-19-27-29-24-11-5-6-12-25(24)31(27)22-8-2-1-3-9-22/h1-15,17-18,30H,16,19H2.
What are the key properties of 2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 488.01 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 46379549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).