N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide

C15H18N4O3S — CID 2812233

IUPACN-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide
SMILESCn1cnc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CC2)c1
InChIInChI=1S/C15H18N4O3S/c1-19-9-14(17-10-19)23(21,22)18-13-5-3-2-4-12(13)15(20)16-8-11-6-7-11/h2-5,9-11,18H,6-8H2,1H3,(H,16,20)
InChIKeyJXYIDWIKRIKSRA-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.36
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide

N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide (PubChem CID 2812233) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide
PubChem CID2812233
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide
SMILESCn1cnc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CC2)c1
InChIInChI=1S/C15H18N4O3S/c1-19-9-14(17-10-19)23(21,22)18-13-5-3-2-4-12(13)15(20)16-8-11-6-7-11/h2-5,9-11,18H,6-8H2,1H3,(H,16,20)
InChIKeyJXYIDWIKRIKSRA-UHFFFAOYSA-N
XLogP1.36
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide (CID 2812233) is N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide is Cn1cnc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide?
The InChIKey is JXYIDWIKRIKSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-19-9-14(17-10-19)23(21,22)18-13-5-3-2-4-12(13)15(20)16-8-11-6-7-11/h2-5,9-11,18H,6-8H2,1H3,(H,16,20).
What are the key properties of N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide?
N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide has a molecular weight of 334.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 2812233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).