N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide

C9H13N3O3S — CID 91671626

IUPACN-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(C(=O)NN)cc1)S(C)(=O)=O
InChIInChI=1S/C9H13N3O3S/c1-12(16(2,14)15)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
InChIKeyCQPRJCBTDWISJQ-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.31
Rot. Bonds3

About N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide

N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 91671626) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
PubChem CID91671626
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccc(C(=O)NN)cc1)S(C)(=O)=O
InChIInChI=1S/C9H13N3O3S/c1-12(16(2,14)15)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
InChIKeyCQPRJCBTDWISJQ-UHFFFAOYSA-N
XLogP-0.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 4662443
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide
CID 126149953
N-(4-bromophenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 1210609
N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 900640
4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 900511
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
4-methylsulfonylbenzohydrazide
CID 11042107
N-[4-(hydrazinecarbonyl)phenyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 91671619
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7516811
N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide
CID 126122432
N-[(2-methoxyphenyl)methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951576

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide (CID 91671626) is N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide is CN(c1ccc(C(=O)NN)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is CQPRJCBTDWISJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-12(16(2,14)15)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13).
What are the key properties of N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide?
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 243.29 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 91671626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).