N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide

C17H21NO3S — CID 3754148

IUPACN-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide
SMILESCCC(COC)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-3-16(13-21-2)18-22(19,20)17-11-9-15(10-12-17)14-7-5-4-6-8-14/h4-12,16,18H,3,13H2,1-2H3
InChIKeyNGFNBHFQPWKIGV-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.06
Rot. Bonds7

About N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide

N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide (PubChem CID 3754148) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide
PubChem CID3754148
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide
SMILESCCC(COC)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-3-16(13-21-2)18-22(19,20)17-11-9-15(10-12-17)14-7-5-4-6-8-14/h4-12,16,18H,3,13H2,1-2H3
InChIKeyNGFNBHFQPWKIGV-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
CID 114150891
4-iodo-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]benzenesulfonamide
CID 74229527
N-(1-bromo-3-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 106185109
4-(bromomethyl)-N-(1-methoxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 19107613
3-amino-4-bromo-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 115329434
3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 3821518
N-(1,1-dimethoxypropan-2-yl)-4-phenylbenzenesulfonamide
CID 25039128
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760
methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 87040440
3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 106068281
4-phenyl-N-propoxybenzenesulfonamide
CID 175370180
N-(1-methoxybutan-2-yl)-3-(propylaminomethyl)benzenesulfonamide
CID 106068380

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide (CID 3754148) is N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide is CCC(COC)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide?
The InChIKey is NGFNBHFQPWKIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-3-16(13-21-2)18-22(19,20)17-11-9-15(10-12-17)14-7-5-4-6-8-14/h4-12,16,18H,3,13H2,1-2H3.
What are the key properties of N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide?
N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3754148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).