2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide

C16H15N5O4S — CID 10317218

IUPAC2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1
InChIInChI=1S/C16H15N5O4S/c17-15(22)11-2-1-3-12-14(11)21-13(20-12)8-26(24,25)10-6-4-9(5-7-10)19-16(18)23/h1-7H,8H2,(H2,17,22)(H,20,21)(H3,18,19,23)
InChIKeyXWGNRJOKJSMIOE-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.13
Rot. Bonds5

About 2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide

2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 10317218) has the molecular formula C16H15N5O4S and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
PubChem CID10317218
Molecular FormulaC16H15N5O4S
Molecular Weight373.39 g/mol
Exact Mass373.08
IUPAC Name2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1
InChIInChI=1S/C16H15N5O4S/c17-15(22)11-2-1-3-12-14(11)21-13(20-12)8-26(24,25)10-6-4-9(5-7-10)19-16(18)23/h1-7H,8H2,(H2,17,22)(H,20,21)(H3,18,19,23)
InChIKeyXWGNRJOKJSMIOE-UHFFFAOYSA-N
XLogP1.13
TPSA161.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide (CID 10317218) is 2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide is NC(=O)Nc1ccc(S(=O)(=O)Cc2nc3c(C(N)=O)cccc3[nH]2)cc1.
What is the InChIKey of 2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is XWGNRJOKJSMIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4S/c17-15(22)11-2-1-3-12-14(11)21-13(20-12)8-26(24,25)10-6-4-9(5-7-10)19-16(18)23/h1-7H,8H2,(H2,17,22)(H,20,21)(H3,18,19,23).
What are the key properties of 2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide?
2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(carbamoylamino)phenyl]sulfonylmethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10317218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).