N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide

C10H13FN4O4S — CID 60985987

IUPACN-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
SMILESNNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NCC1CC1
InChIInChI=1S/C10H13FN4O4S/c11-8-3-7(15(16)17)4-9(14-12)10(8)20(18,19)13-5-6-1-2-6/h3-4,6,13-14H,1-2,5,12H2
InChIKeyGPWPVCGWUKFYCL-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.71
Rot. Bonds6

About N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide

N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide (PubChem CID 60985987) has the molecular formula C10H13FN4O4S and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
PubChem CID60985987
Molecular FormulaC10H13FN4O4S
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC NameN-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
SMILESNNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NCC1CC1
InChIInChI=1S/C10H13FN4O4S/c11-8-3-7(15(16)17)4-9(14-12)10(8)20(18,19)13-5-6-1-2-6/h3-4,6,13-14H,1-2,5,12H2
InChIKeyGPWPVCGWUKFYCL-UHFFFAOYSA-N
XLogP0.71
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide
CID 60985877
2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62692698
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324
N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985950
2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide
CID 80712583
2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912901
N-(cyclopropylmethyl)-2-(ethylamino)-4-nitrobenzenesulfonamide
CID 62149900
N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985894
2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide
CID 62335849
4-[(2,6-difluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 106130583
2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide
CID 62148008
N-[(4-bromocyclohexyl)methyl]-2,4,6-trifluorobenzenesulfonamide
CID 106136131

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide (CID 60985987) is N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide is NNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide?
The InChIKey is GPWPVCGWUKFYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O4S/c11-8-3-7(15(16)17)4-9(14-12)10(8)20(18,19)13-5-6-1-2-6/h3-4,6,13-14H,1-2,5,12H2.
What are the key properties of N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide?
N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide has a molecular weight of 304.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 60985987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).