3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide

C16H17N3O3S — CID 37004365

IUPAC3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C16H17N3O3S/c20-16(19-14-6-8-17-9-7-14)13-2-1-3-15(10-13)23(21,22)18-11-12-4-5-12/h1-3,6-10,12,18H,4-5,11H2,(H,17,19,20)
InChIKeyHTNYTEVYMDNGCK-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.02
Rot. Bonds6

About 3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide

3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide (PubChem CID 37004365) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
PubChem CID37004365
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C16H17N3O3S/c20-16(19-14-6-8-17-9-7-14)13-2-1-3-15(10-13)23(21,22)18-11-12-4-5-12/h1-3,6-10,12,18H,4-5,11H2,(H,17,19,20)
InChIKeyHTNYTEVYMDNGCK-UHFFFAOYSA-N
XLogP2.02
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617470
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-[4-(azepan-1-yl)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55597646
3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37021657
3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 55931368
3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 60561894
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440447

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide (CID 37004365) is 3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide?
The InChIKey is HTNYTEVYMDNGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16(19-14-6-8-17-9-7-14)13-2-1-3-15(10-13)23(21,22)18-11-12-4-5-12/h1-3,6-10,12,18H,4-5,11H2,(H,17,19,20).
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide?
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide has a molecular weight of 331.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 37004365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).