N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide

C11H13N3O3S — CID 81258965

IUPACN-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCc2cnc[nH]2)c1
InChIInChI=1S/C11H13N3O3S/c1-17-10-3-2-4-11(5-10)18(15,16)14-7-9-6-12-8-13-9/h2-6,8,14H,7H2,1H3,(H,12,13)
InChIKeyMFLNNEHCTDZPTP-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.90
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide

N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide (PubChem CID 81258965) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide
PubChem CID81258965
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCc2cnc[nH]2)c1
InChIInChI=1S/C11H13N3O3S/c1-17-10-3-2-4-11(5-10)18(15,16)14-7-9-6-12-8-13-9/h2-6,8,14H,7H2,1H3,(H,12,13)
InChIKeyMFLNNEHCTDZPTP-UHFFFAOYSA-N
XLogP0.90
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231599
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
3-(aminomethyl)-5-chloro-N-(1H-imidazol-5-ylmethyl)-2-methoxybenzenesulfonamide
CID 106069749
2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide
CID 110684174
N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 90537996
2-[[(3-methoxyphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 81264880
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577
6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid
CID 68502210
5-[(sulfamoylamino)methyl]-1H-imidazole
CID 57034342

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide (CID 81258965) is N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NCc2cnc[nH]2)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide?
The InChIKey is MFLNNEHCTDZPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-17-10-3-2-4-11(5-10)18(15,16)14-7-9-6-12-8-13-9/h2-6,8,14H,7H2,1H3,(H,12,13).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide?
N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81258965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).