N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide

C15H14ClN3O2S2 — CID 17416898

IUPACN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2S2/c1-19-9-8-17-15(19)14(11-4-6-12(16)7-5-11)18-23(20,21)13-3-2-10-22-13/h2-10,14,18H,1H3
InChIKeySPNVWJJQBGBQJP-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.20
Rot. Bonds5

About N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 17416898) has the molecular formula C15H14ClN3O2S2 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID17416898
Molecular FormulaC15H14ClN3O2S2
Molecular Weight367.88 g/mol
Exact Mass367.02
IUPAC NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCn1ccnc1C(NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2S2/c1-19-9-8-17-15(19)14(11-4-6-12(16)7-5-11)18-23(20,21)13-3-2-10-22-13/h2-10,14,18H,1H3
InChIKeySPNVWJJQBGBQJP-UHFFFAOYSA-N
XLogP3.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 42923725
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 51274932
2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25345807
2-[(4-chlorophenyl)-(diethylsulfamoylamino)methyl]-1-methylimidazole
CID 46511184
1-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 24541093
2,5-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541230
N-[(4-chlorophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methyl]thiophene-2-sulfonamide
CID 102110589
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 93233572
4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 18109066
5-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 24541170
2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541241

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide (CID 17416898) is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide is Cn1ccnc1C(NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is SPNVWJJQBGBQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S2/c1-19-9-8-17-15(19)14(11-4-6-12(16)7-5-11)18-23(20,21)13-3-2-10-22-13/h2-10,14,18H,1H3.
What are the key properties of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide?
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 367.88 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 17416898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).