N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide

C17H16ClN3O3S — CID 2811920

IUPACN-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2c(Cl)cccc2Oc2ccccc2)c1
InChIInChI=1S/C17H16ClN3O3S/c1-21-11-17(19-12-21)25(22,23)20-10-14-15(18)8-5-9-16(14)24-13-6-3-2-4-7-13/h2-9,11-12,20H,10H2,1H3
InChIKeySSDYYUJQYNBQCN-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.34
Rot. Bonds6

About N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide

N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 2811920) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide
PubChem CID2811920
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC NameN-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2c(Cl)cccc2Oc2ccccc2)c1
InChIInChI=1S/C17H16ClN3O3S/c1-21-11-17(19-12-21)25(22,23)20-10-14-15(18)8-5-9-16(14)24-13-6-3-2-4-7-13/h2-9,11-12,20H,10H2,1H3
InChIKeySSDYYUJQYNBQCN-UHFFFAOYSA-N
XLogP3.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-3-phenylpropyl)-1-methylimidazole-4-sulfonamide
CID 80506785
N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
CID 71879584
N-[(4-bromophenyl)methyl]-1-methylimidazole-4-sulfonamide
CID 20958647
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 2810735
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide
CID 79530759
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 46345208
1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea
CID 2811720
2-[3-[4-(ethylcarbamoyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]phenoxy]phenyl]acetic acid
CID 59644700
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
3-[(1-methylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62374275

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide (CID 2811920) is N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2c(Cl)cccc2Oc2ccccc2)c1.
What is the InChIKey of N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is SSDYYUJQYNBQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-21-11-17(19-12-21)25(22,23)20-10-14-15(18)8-5-9-16(14)24-13-6-3-2-4-7-13/h2-9,11-12,20H,10H2,1H3.
What are the key properties of N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide?
N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 377.85 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-phenoxyphenyl)methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 2811920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).