3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide

C15H20ClNO3S — CID 107090799

IUPAC3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(CO)c(Cl)c1)N(CC1CC1)CC1CC1
InChIInChI=1S/C15H20ClNO3S/c16-15-7-14(6-5-13(15)10-18)21(19,20)17(8-11-1-2-11)9-12-3-4-12/h5-7,11-12,18H,1-4,8-10H2
InChIKeyYFIYULZIEKEPGD-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.64
Rot. Bonds7

About 3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide

3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide (PubChem CID 107090799) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide
PubChem CID107090799
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(CO)c(Cl)c1)N(CC1CC1)CC1CC1
InChIInChI=1S/C15H20ClNO3S/c16-15-7-14(6-5-13(15)10-18)21(19,20)17(8-11-1-2-11)9-12-3-4-12/h5-7,11-12,18H,1-4,8-10H2
InChIKeyYFIYULZIEKEPGD-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(cyclopentylmethyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090781
3-chloro-4-(hydroxymethyl)-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 107090640
3-chloro-N-ethyl-4-(hydroxymethyl)-N-prop-2-enylbenzenesulfonamide
CID 107090854
3-chloro-N-(2,2-dimethylpropyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090736
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
3-chloro-4-[(cyclopropylamino)methyl]-N,N-diethylbenzenesulfonamide
CID 107091147
3-chloro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 107090912
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
[2-chloro-4-(4-cyclopropylpiperazin-1-yl)sulfonylphenyl]methanol
CID 107090687
[2-chloro-4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090598
3-chloro-N-(4-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090740
ethyl 3-[(3-chloro-4-fluorophenyl)sulfonyl-(cyclopropylmethyl)amino]propanoate
CID 60588940

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide (CID 107090799) is 3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide is O=S(=O)(c1ccc(CO)c(Cl)c1)N(CC1CC1)CC1CC1.
What is the InChIKey of 3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide?
The InChIKey is YFIYULZIEKEPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c16-15-7-14(6-5-13(15)10-18)21(19,20)17(8-11-1-2-11)9-12-3-4-12/h5-7,11-12,18H,1-4,8-10H2.
What are the key properties of 3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide?
3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide has a molecular weight of 329.85 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(cyclopropylmethyl)-4-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 107090799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).