N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide

C15H17N3O4S — CID 68525317

IUPACN-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide
SMILESCOc1cc(-c2cccc(NS(C)(=O)=O)c2)ccc1C(=O)NN
InChIInChI=1S/C15H17N3O4S/c1-22-14-9-11(6-7-13(14)15(19)17-16)10-4-3-5-12(8-10)18-23(2,20)21/h3-9,18H,16H2,1-2H3,(H,17,19)
InChIKeySAOUPNXDBAYGSS-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.34
Rot. Bonds5

About N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide

N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide (PubChem CID 68525317) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide
PubChem CID68525317
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide
SMILESCOc1cc(-c2cccc(NS(C)(=O)=O)c2)ccc1C(=O)NN
InChIInChI=1S/C15H17N3O4S/c1-22-14-9-11(6-7-13(14)15(19)17-16)10-4-3-5-12(8-10)18-23(2,20)21/h3-9,18H,16H2,1-2H3,(H,17,19)
InChIKeySAOUPNXDBAYGSS-UHFFFAOYSA-N
XLogP1.34
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
CID 68527353
N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide
CID 53221096
N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide
CID 68511610
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 18077538
(2S)-2-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2-methoxybenzoyl]amino]-3-hydroxypropanoic acid
CID 59174264
2-methoxybenzohydrazide
CID 24051
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide
CID 18626077
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
4-(4-chloroanilino)-2-methoxybenzohydrazide
CID 70030100

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide (CID 68525317) is N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide is COc1cc(-c2cccc(NS(C)(=O)=O)c2)ccc1C(=O)NN.
What is the InChIKey of N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide?
The InChIKey is SAOUPNXDBAYGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-22-14-9-11(6-7-13(14)15(19)17-16)10-4-3-5-12(8-10)18-23(2,20)21/h3-9,18H,16H2,1-2H3,(H,17,19).
What are the key properties of N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide?
N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide has a molecular weight of 335.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 68525317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).