N-(thian-3-yl)benzenesulfonamide

C11H15NO2S2 — CID 115675274

IUPACN-(thian-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCSC1)c1ccccc1
InChIInChI=1S/C11H15NO2S2/c13-16(14,11-6-2-1-3-7-11)12-10-5-4-8-15-9-10/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyWZKBRHSYAOZJAP-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.86
Rot. Bonds3

About N-(thian-3-yl)benzenesulfonamide

N-(thian-3-yl)benzenesulfonamide (PubChem CID 115675274) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(thian-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(thian-3-yl)benzenesulfonamide
PubChem CID115675274
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC NameN-(thian-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCSC1)c1ccccc1
InChIInChI=1S/C11H15NO2S2/c13-16(14,11-6-2-1-3-7-11)12-10-5-4-8-15-9-10/h1-3,6-7,10,12H,4-5,8-9H2
InChIKeyWZKBRHSYAOZJAP-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropoxy)-N-(thian-3-yl)benzenesulfonamide
CID 106081382
N-(thian-3-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422407
4-hydroxy-N-(thiolan-3-yl)benzenesulfonamide
CID 103063928
2,4-dibromo-N-(thian-3-yl)benzenesulfonamide
CID 113250007
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960
N-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62871608
thian-3-ylsulfamic acid
CID 14594130
4-methyl-3-(thian-3-ylsulfamoyl)benzoic acid
CID 104655157
5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081562

Frequently Asked Questions

What is the IUPAC name of N-(thian-3-yl)benzenesulfonamide?
The IUPAC name of N-(thian-3-yl)benzenesulfonamide (CID 115675274) is N-(thian-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(thian-3-yl)benzenesulfonamide?
The canonical SMILES for N-(thian-3-yl)benzenesulfonamide is O=S(=O)(NC1CCCSC1)c1ccccc1.
What is the InChIKey of N-(thian-3-yl)benzenesulfonamide?
The InChIKey is WZKBRHSYAOZJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c13-16(14,11-6-2-1-3-7-11)12-10-5-4-8-15-9-10/h1-3,6-7,10,12H,4-5,8-9H2.
What are the key properties of N-(thian-3-yl)benzenesulfonamide?
N-(thian-3-yl)benzenesulfonamide has a molecular weight of 257.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-3-yl)benzenesulfonamide is sourced from PubChem (CID 115675274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).