N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide

C8H13N3O2S — CID 67149033

IUPACN-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CNN)cc1
InChIInChI=1S/C8H13N3O2S/c1-14(12,13)11-8-4-2-7(3-5-8)6-10-9/h2-5,10-11H,6,9H2,1H3
InChIKeyUXFGATRQWAPGBS-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.02
Rot. Bonds4

About N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide

N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide (PubChem CID 67149033) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
PubChem CID67149033
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CNN)cc1
InChIInChI=1S/C8H13N3O2S/c1-14(12,13)11-8-4-2-7(3-5-8)6-10-9/h2-5,10-11H,6,9H2,1H3
InChIKeyUXFGATRQWAPGBS-UHFFFAOYSA-N
XLogP0.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 57203958
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280
3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride
CID 119710882
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
CID 56920768
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide
CID 141354301
CID 90390717
CID 90390717
N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113
methyl (2S)-2-amino-3-[4-(methanesulfonamido)phenyl]propanoate
CID 58863518

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide (CID 67149033) is N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CNN)cc1.
What is the InChIKey of N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide?
The InChIKey is UXFGATRQWAPGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-14(12,13)11-8-4-2-7(3-5-8)6-10-9/h2-5,10-11H,6,9H2,1H3.
What are the key properties of N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide?
N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 67149033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).