N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide

C11H12N4O3S — CID 81257028

IUPACN-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)n1ccnc1
InChIInChI=1S/C11H12N4O3S/c1-19(17,18)14-10-5-3-2-4-9(10)13-11(16)15-7-6-12-8-15/h2-8,14H,1H3,(H,13,16)
InChIKeyQNUIKQXXKVEZPP-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.33
Rot. Bonds3

About N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide

N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide (PubChem CID 81257028) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide
PubChem CID81257028
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC NameN-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)n1ccnc1
InChIInChI=1S/C11H12N4O3S/c1-19(17,18)14-10-5-3-2-4-9(10)13-11(16)15-7-6-12-8-15/h2-8,14H,1H3,(H,13,16)
InChIKeyQNUIKQXXKVEZPP-UHFFFAOYSA-N
XLogP1.33
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide (CID 81257028) is N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide is CS(=O)(=O)Nc1ccccc1NC(=O)n1ccnc1.
What is the InChIKey of N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide?
The InChIKey is QNUIKQXXKVEZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-19(17,18)14-10-5-3-2-4-9(10)13-11(16)15-7-6-12-8-15/h2-8,14H,1H3,(H,13,16).
What are the key properties of N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide?
N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).