N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide

C16H17NO3S2 — CID 649687

IUPACN-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide
SMILESCOc1ccc(N(C2CSC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S2/c1-20-15-9-7-13(8-10-15)17(14-11-21-12-14)22(18,19)16-5-3-2-4-6-16/h2-10,14H,11-12H2,1H3
InChIKeyWXBBWMGVPCYLCM-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.01
Rot. Bonds5

About N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide

N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide (PubChem CID 649687) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide
PubChem CID649687
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC NameN-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide
SMILESCOc1ccc(N(C2CSC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S2/c1-20-15-9-7-13(8-10-15)17(14-11-21-12-14)22(18,19)16-5-3-2-4-6-16/h2-10,14H,11-12H2,1H3
InChIKeyWXBBWMGVPCYLCM-UHFFFAOYSA-N
XLogP3.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[4-(diethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 841703
N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696908
N-(2-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}ethyl)benzenesulfonamide
CID 16809018
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
CID 23604945
1-(4-Methoxyphenyl)-4-[1-(phenylsulfonyl)-3-piperidinyl]piperazine
CID 24819326
2-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 24979667
4-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 100491087
3-methoxy-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 134153112
5-amino-2-(diethylamino)-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 3851766
Isothiazolidine, 2-(p-methoxyphenyl)-, 1,1-dioxide
CID 52614
1-(4-Methoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 711769

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide (CID 649687) is N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide is COc1ccc(N(C2CSC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide?
The InChIKey is WXBBWMGVPCYLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-20-15-9-7-13(8-10-15)17(14-11-21-12-14)22(18,19)16-5-3-2-4-6-16/h2-10,14H,11-12H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide?
N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide has a molecular weight of 335.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(thietan-3-yl)benzenesulfonamide is sourced from PubChem (CID 649687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).