N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide

C17H27NO4S — CID 86825288

IUPACN,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCCCO2)ccc1OC(C)C
InChIInChI=1S/C17H27NO4S/c1-13(2)22-17-9-8-16(11-14(17)3)23(19,20)18(4)12-15-7-5-6-10-21-15/h8-9,11,13,15H,5-7,10,12H2,1-4H3
InChIKeyAJCACVBCWFCKTL-UHFFFAOYSA-N
MW341.47 g/mol
LogP2.97
Rot. Bonds6

About N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide

N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 86825288) has the molecular formula C17H27NO4S and a molecular weight of 341.47 g/mol. Its IUPAC name is N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID86825288
Molecular FormulaC17H27NO4S
Molecular Weight341.47 g/mol
Exact Mass341.17
IUPAC NameN,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCCCO2)ccc1OC(C)C
InChIInChI=1S/C17H27NO4S/c1-13(2)22-17-9-8-16(11-14(17)3)23(19,20)18(4)12-15-7-5-6-10-21-15/h8-9,11,13,15H,5-7,10,12H2,1-4H3
InChIKeyAJCACVBCWFCKTL-UHFFFAOYSA-N
XLogP2.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
[4-(Azepane-1-sulfonyl)-2-methyl-phenoxy]-acetic acid methyl ester
CID 972892
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
N-cyclopentyl-4-ethoxy-3-methylbenzenesulfonamide
CID 2992053
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 2224391
4-{[2-Methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]acetyl}morpholine
CID 2226440
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2231172
4-[(5-Tert-butyl-2-ethoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2968838
[1-(4-Ethoxy-3-methyl-benzenesulfonyl)-piperidin-4-yl]-pyrrolidin-1-yl-methanone
CID 3162877
[1-(4-Ethoxy-3-methyl-benzenesulfonyl)-piperidin-4-yl]-morpholin-4-yl-methanone
CID 3162879
4-({1-[(4-Ethoxy-3-methylphenyl)sulfonyl]-3-piperidinyl}carbonyl)morpholine
CID 24794326

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide (CID 86825288) is N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CC2CCCCO2)ccc1OC(C)C.
What is the InChIKey of N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is AJCACVBCWFCKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4S/c1-13(2)22-17-9-8-16(11-14(17)3)23(19,20)18(4)12-15-7-5-6-10-21-15/h8-9,11,13,15H,5-7,10,12H2,1-4H3.
What are the key properties of N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide?
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 341.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 86825288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).