N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C16H24N4O4S — CID 56889998

IUPACN-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NCC3(O)CCCNCC3)ccc21
InChIInChI=1S/C16H24N4O4S/c1-19-13-5-4-12(10-14(13)20(2)15(19)21)25(23,24)18-11-16(22)6-3-8-17-9-7-16/h4-5,10,17-18,22H,3,6-9,11H2,1-2H3
InChIKeyGHRAKYFOEBMUEZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP-0.34
Rot. Bonds4

About N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 56889998) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID56889998
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NCC3(O)CCCNCC3)ccc21
InChIInChI=1S/C16H24N4O4S/c1-19-13-5-4-12(10-14(13)20(2)15(19)21)25(23,24)18-11-16(22)6-3-8-17-9-7-16/h4-5,10,17-18,22H,3,6-9,11H2,1-2H3
InChIKeyGHRAKYFOEBMUEZ-UHFFFAOYSA-N
XLogP-0.34
TPSA105.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 56889998) is N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NCC3(O)CCCNCC3)ccc21.
What is the InChIKey of N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is GHRAKYFOEBMUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-19-13-5-4-12(10-14(13)20(2)15(19)21)25(23,24)18-11-16(22)6-3-8-17-9-7-16/h4-5,10,17-18,22H,3,6-9,11H2,1-2H3.
What are the key properties of N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 368.46 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 56889998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).