N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide

C16H25NO3S — CID 61444156

IUPACN-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1cccc(C(O)CC)c1
InChIInChI=1S/C16H25NO3S/c1-3-10-17(12-13-8-9-13)21(19,20)15-7-5-6-14(11-15)16(18)4-2/h5-7,11,13,16,18H,3-4,8-10,12H2,1-2H3
InChIKeyXWDBOFNVATWOLD-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.94
Rot. Bonds8

About N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide

N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide (PubChem CID 61444156) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
PubChem CID61444156
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1cccc(C(O)CC)c1
InChIInChI=1S/C16H25NO3S/c1-3-10-17(12-13-8-9-13)21(19,20)15-7-5-6-14(11-15)16(18)4-2/h5-7,11,13,16,18H,3-4,8-10,12H2,1-2H3
InChIKeyXWDBOFNVATWOLD-UHFFFAOYSA-N
XLogP2.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide
CID 60873070
N-(cyclopropylmethyl)-4-pentan-3-yl-N-propylbenzenesulfonamide
CID 146213720
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366
3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63858508
N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 113228610
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
3-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399516
3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414903
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
CID 78787052
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide (CID 61444156) is N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide is CCCN(CC1CC1)S(=O)(=O)c1cccc(C(O)CC)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide?
The InChIKey is XWDBOFNVATWOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-3-10-17(12-13-8-9-13)21(19,20)15-7-5-6-14(11-15)16(18)4-2/h5-7,11,13,16,18H,3-4,8-10,12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide?
N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 61444156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).