4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C13H19NO4S — CID 102704119

IUPAC4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCOc1cc(CO)ccc1S(=O)(=O)NCC1CC1C
InChIInChI=1S/C13H19NO4S/c1-9-5-11(9)7-14-19(16,17)13-4-3-10(8-15)6-12(13)18-2/h3-4,6,9,11,14-15H,5,7-8H2,1-2H3
InChIKeyRXXRSRGHZDTCOE-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.12
Rot. Bonds6

About 4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 102704119) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID102704119
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCOc1cc(CO)ccc1S(=O)(=O)NCC1CC1C
InChIInChI=1S/C13H19NO4S/c1-9-5-11(9)7-14-19(16,17)13-4-3-10(8-15)6-12(13)18-2/h3-4,6,9,11,14-15H,5,7-8H2,1-2H3
InChIKeyRXXRSRGHZDTCOE-UHFFFAOYSA-N
XLogP1.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102703982
N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102704121
4-(hydroxymethyl)-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106377906
2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 115597756
4-(hydroxymethyl)-2-methoxy-N-(3-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001705
N-[(4-bromothiophen-2-yl)methyl]-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102704070
1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 113464374
2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000293
2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 102704578
[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol
CID 102703936
2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463613
3-amino-2,4-difluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 107343819

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 102704119) is 4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is COc1cc(CO)ccc1S(=O)(=O)NCC1CC1C.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is RXXRSRGHZDTCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-9-5-11(9)7-14-19(16,17)13-4-3-10(8-15)6-12(13)18-2/h3-4,6,9,11,14-15H,5,7-8H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 102704119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).