5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide

C12H18ClNO5S — CID 102701324

IUPAC5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOc1c(CO)cc(Cl)cc1S(=O)(=O)NCC(C)OC
InChIInChI=1S/C12H18ClNO5S/c1-8(18-2)6-14-20(16,17)11-5-10(13)4-9(7-15)12(11)19-3/h4-5,8,14-15H,6-7H2,1-3H3
InChIKeyXAIDCMJYEDCSPO-UHFFFAOYSA-N
MW323.80 g/mol
LogP1.15
Rot. Bonds7

About 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide

5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 102701324) has the molecular formula C12H18ClNO5S and a molecular weight of 323.80 g/mol. Its IUPAC name is 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID102701324
Molecular FormulaC12H18ClNO5S
Molecular Weight323.80 g/mol
Exact Mass323.06
IUPAC Name5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOc1c(CO)cc(Cl)cc1S(=O)(=O)NCC(C)OC
InChIInChI=1S/C12H18ClNO5S/c1-8(18-2)6-14-20(16,17)11-5-10(13)4-9(7-15)12(11)19-3/h4-5,8,14-15H,6-7H2,1-3H3
InChIKeyXAIDCMJYEDCSPO-UHFFFAOYSA-N
XLogP1.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701487
2,5-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
CID 102701374
5-chloro-N-(2,2-dimethylbutyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 103465926
3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102694349
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423582
5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid
CID 66170370
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
3-bromo-5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102701305
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
5-chloro-2-methoxy-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 106074909
3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053865

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide (CID 102701324) is 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide is COc1c(CO)cc(Cl)cc1S(=O)(=O)NCC(C)OC.
What is the InChIKey of 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is XAIDCMJYEDCSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO5S/c1-8(18-2)6-14-20(16,17)11-5-10(13)4-9(7-15)12(11)19-3/h4-5,8,14-15H,6-7H2,1-3H3.
What are the key properties of 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide?
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide has a molecular weight of 323.80 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 102701324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).