N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide

C22H29N3O2S — CID 59826270

IUPACN-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(CN2CCNCC2)cc1)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C22H29N3O2S/c26-28(27,25(18-21-6-7-21)17-19-4-2-1-3-5-19)22-10-8-20(9-11-22)16-24-14-12-23-13-15-24/h1-5,8-11,21,23H,6-7,12-18H2
InChIKeyNUQLNSJIBQOOQX-UHFFFAOYSA-N
MW399.56 g/mol
LogP2.69
Rot. Bonds8

About N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide

N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide (PubChem CID 59826270) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
PubChem CID59826270
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(CN2CCNCC2)cc1)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C22H29N3O2S/c26-28(27,25(18-21-6-7-21)17-19-4-2-1-3-5-19)22-10-8-20(9-11-22)16-24-14-12-23-13-15-24/h1-5,8-11,21,23H,6-7,12-18H2
InChIKeyNUQLNSJIBQOOQX-UHFFFAOYSA-N
XLogP2.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
CID 71050438
N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826019
N-benzyl-4-fluoro-N-[[4-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzenesulfonamide
CID 46886359
N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826080
azane;1-benzylpiperazine
CID 174866973
N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
CID 59826139
4-[[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]methyl]-N-oxidocyclohexane-1-carboxamide
CID 20967363
N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
CID 10184484
N-benzyl-N-methyl-4-[(4-methylsulfonylpiperidin-1-yl)methyl]benzenesulfonamide
CID 59826023
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 23108743
N-[4-[[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]methyl]cyclohexyl]-N-methyl-2-phenylacetamide
CID 23582317
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-(2-fluoroethyl)-4-methylbenzenesulfonamide
CID 14307755

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide (CID 59826270) is N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(CN2CCNCC2)cc1)N(Cc1ccccc1)CC1CC1.
What is the InChIKey of N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide?
The InChIKey is NUQLNSJIBQOOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c26-28(27,25(18-21-6-7-21)17-19-4-2-1-3-5-19)22-10-8-20(9-11-22)16-24-14-12-23-13-15-24/h1-5,8-11,21,23H,6-7,12-18H2.
What are the key properties of N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide?
N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide has a molecular weight of 399.56 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 59826270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).