N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide

C23H34N2O6S2 — CID 14386909

IUPACN-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCO)CCCN(CCCO)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H34N2O6S2/c1-20-6-10-22(11-7-20)32(28,29)24(16-4-18-26)14-3-15-25(17-5-19-27)33(30,31)23-12-8-21(2)9-13-23/h6-13,26-27H,3-5,14-19H2,1-2H3
InChIKeySBWBZBMRQPEWKP-UHFFFAOYSA-N
MW498.67 g/mol
LogP2.14
Rot. Bonds14

About N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide

N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide (PubChem CID 14386909) has the molecular formula C23H34N2O6S2 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
PubChem CID14386909
Molecular FormulaC23H34N2O6S2
Molecular Weight498.67 g/mol
Exact Mass498.19
IUPAC NameN-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCO)CCCN(CCCO)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H34N2O6S2/c1-20-6-10-22(11-7-20)32(28,29)24(16-4-18-26)14-3-15-25(17-5-19-27)33(30,31)23-12-8-21(2)9-13-23/h6-13,26-27H,3-5,14-19H2,1-2H3
InChIKeySBWBZBMRQPEWKP-UHFFFAOYSA-N
XLogP2.14
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848
N-(3-hydroxypropyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 146526103
2-[3-[carboxymethyl-(4-methylphenyl)sulfonylamino]propyl-(4-methylphenyl)sulfonylamino]acetic acid
CID 71676651
N,N-bis(7-bromoheptyl)-4-methylbenzenesulfonamide
CID 10673655
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide (CID 14386909) is N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCCO)CCCN(CCCO)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide?
The InChIKey is SBWBZBMRQPEWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O6S2/c1-20-6-10-22(11-7-20)32(28,29)24(16-4-18-26)14-3-15-25(17-5-19-27)33(30,31)23-12-8-21(2)9-13-23/h6-13,26-27H,3-5,14-19H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide?
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide has a molecular weight of 498.67 g/mol, XLogP of 2.14, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 14386909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).