3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide

C18H17N5O3S — CID 146148800

IUPAC3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2cn[nH]n2)c1)c1cccc(NS(=O)(=O)C2CC2)c1
InChIInChI=1S/C18H17N5O3S/c24-18(20-14-5-1-3-12(9-14)17-11-19-23-21-17)13-4-2-6-15(10-13)22-27(25,26)16-7-8-16/h1-6,9-11,16,22H,7-8H2,(H,20,24)(H,19,21,23)
InChIKeyVLNBDKJFKLQPJM-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.63
Rot. Bonds6

About 3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide

3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide (PubChem CID 146148800) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide
PubChem CID146148800
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2cn[nH]n2)c1)c1cccc(NS(=O)(=O)C2CC2)c1
InChIInChI=1S/C18H17N5O3S/c24-18(20-14-5-1-3-12(9-14)17-11-19-23-21-17)13-4-2-6-15(10-13)22-27(25,26)16-7-8-16/h1-6,9-11,16,22H,7-8H2,(H,20,24)(H,19,21,23)
InChIKeyVLNBDKJFKLQPJM-UHFFFAOYSA-N
XLogP2.63
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2H-triazol-4-yl)phenyl]carbamic acid
CID 69051190
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2-fluoro-2-methyl-N-[3-(2H-triazol-4-yl)phenyl]propanamide
CID 162443217
N-(3-acetylphenyl)oxane-4-sulfonamide
CID 62048626
N-[3-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)phenyl]cyclopropanesulfonamide
CID 130430933
4-hydroxy-2,6-dioxo-N-[3-(2H-triazol-4-yl)phenyl]-1,3-diazinane-5-carboxamide
CID 155903283
N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 113226196
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
2-[[3-(3,4-difluorophenyl)phenyl]carbamoyl]-4-(2H-triazol-4-yl)benzoic acid
CID 175860756
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
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N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide
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CID 166181432

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide (CID 146148800) is 3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide is O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cccc(NS(=O)(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide?
The InChIKey is VLNBDKJFKLQPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c24-18(20-14-5-1-3-12(9-14)17-11-19-23-21-17)13-4-2-6-15(10-13)22-27(25,26)16-7-8-16/h1-6,9-11,16,22H,7-8H2,(H,20,24)(H,19,21,23).
What are the key properties of 3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide?
3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide has a molecular weight of 383.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 146148800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).