3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

C20H21N5O3S — CID 55931368

IUPAC3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(Cn2cncn2)c1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C20H21N5O3S/c26-20(24-18-5-1-3-16(9-18)12-25-14-21-13-22-25)17-4-2-6-19(10-17)29(27,28)23-11-15-7-8-15/h1-6,9-10,13-15,23H,7-8,11-12H2,(H,24,26)
InChIKeyDRMQSVZPFOHASN-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.27
Rot. Bonds8

About 3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (PubChem CID 55931368) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
PubChem CID55931368
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(Cn2cncn2)c1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C20H21N5O3S/c26-20(24-18-5-1-3-16(9-18)12-25-14-21-13-22-25)17-4-2-6-19(10-17)29(27,28)23-11-15-7-8-15/h1-6,9-10,13-15,23H,7-8,11-12H2,(H,24,26)
InChIKeyDRMQSVZPFOHASN-UHFFFAOYSA-N
XLogP2.27
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
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N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
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3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
N-[4-(azepan-1-yl)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55597646
N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46957520
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 55814930
3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37021657
3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 166187501
N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119852249

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (CID 55931368) is 3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is O=C(Nc1cccc(Cn2cncn2)c1)c1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is DRMQSVZPFOHASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-20(24-18-5-1-3-16(9-18)12-25-14-21-13-22-25)17-4-2-6-19(10-17)29(27,28)23-11-15-7-8-15/h1-6,9-10,13-15,23H,7-8,11-12H2,(H,24,26).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 411.49 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 55931368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).