3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide

C15H18ClN3O3S — CID 113081575

IUPAC3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc3c([nH]2)CCCC3)cc1Cl
InChIInChI=1S/C15H18ClN3O3S/c1-22-14-7-6-10(8-11(14)16)23(20,21)17-9-15-18-12-4-2-3-5-13(12)19-15/h6-8,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyDVNAEDMAVTVIJJ-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.43
Rot. Bonds5

About 3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide

3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide (PubChem CID 113081575) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
PubChem CID113081575
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc3c([nH]2)CCCC3)cc1Cl
InChIInChI=1S/C15H18ClN3O3S/c1-22-14-7-6-10(8-11(14)16)23(20,21)17-9-15-18-12-4-2-3-5-13(12)19-15/h6-8,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyDVNAEDMAVTVIJJ-UHFFFAOYSA-N
XLogP2.43
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081564
2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081563
4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081556
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248763
1-acetyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 113081583
3-chloro-4-methoxy-N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 87033023
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
3-chloro-4-methoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
CID 53278352
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966599

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide (CID 113081575) is 3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nc3c([nH]2)CCCC3)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is DVNAEDMAVTVIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-22-14-7-6-10(8-11(14)16)23(20,21)17-9-15-18-12-4-2-3-5-13(12)19-15/h6-8,17H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 355.85 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 113081575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).