N-sulfanyloxybenzenesulfonamide

C6H7NO3S2 — CID 173416385

IUPACN-sulfanyloxybenzenesulfonamide
SMILESO=S(=O)(NOS)c1ccccc1
InChIInChI=1S/C6H7NO3S2/c8-12(9,7-10-11)6-4-2-1-3-5-6/h1-5,7,11H
InChIKeyDEZZHSGTFYXKGT-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.74
Rot. Bonds3

About N-sulfanyloxybenzenesulfonamide

N-sulfanyloxybenzenesulfonamide (PubChem CID 173416385) has the molecular formula C6H7NO3S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-sulfanyloxybenzenesulfonamide.

Molecular Properties

Compound NameN-sulfanyloxybenzenesulfonamide
PubChem CID173416385
Molecular FormulaC6H7NO3S2
Molecular Weight205.26 g/mol
Exact Mass204.99
IUPAC NameN-sulfanyloxybenzenesulfonamide
SMILESO=S(=O)(NOS)c1ccccc1
InChIInChI=1S/C6H7NO3S2/c8-12(9,7-10-11)6-4-2-1-3-5-6/h1-5,7,11H
InChIKeyDEZZHSGTFYXKGT-UHFFFAOYSA-N
XLogP0.74
TPSA55.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(difluoromethoxy)benzenesulfonamide
CID 154499531
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
N-(2-chloroethoxy)benzenesulfonamide
CID 70360166
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide
CID 164941118
CID 88793655
CID 88793655
benzenesulfonohydrazide;hydrate
CID 21414143
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-(benzenesulfonylmethyl)benzenesulfonamide
CID 23452744
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-nitrosobenzenesulfonamide
CID 57254362
sodium;N-bromobenzenesulfonamide;hydride
CID 139243584

Frequently Asked Questions

What is the IUPAC name of N-sulfanyloxybenzenesulfonamide?
The IUPAC name of N-sulfanyloxybenzenesulfonamide (CID 173416385) is N-sulfanyloxybenzenesulfonamide.
What is the SMILES notation for N-sulfanyloxybenzenesulfonamide?
The canonical SMILES for N-sulfanyloxybenzenesulfonamide is O=S(=O)(NOS)c1ccccc1.
What is the InChIKey of N-sulfanyloxybenzenesulfonamide?
The InChIKey is DEZZHSGTFYXKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S2/c8-12(9,7-10-11)6-4-2-1-3-5-6/h1-5,7,11H.
What are the key properties of N-sulfanyloxybenzenesulfonamide?
N-sulfanyloxybenzenesulfonamide has a molecular weight of 205.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanyloxybenzenesulfonamide is sourced from PubChem (CID 173416385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).