N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide

C24H27N3O2S — CID 59826139

IUPACN-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(CNCc2ccccn2)cc1)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C24H27N3O2S/c28-30(29,27(19-22-9-10-22)18-21-6-2-1-3-7-21)24-13-11-20(12-14-24)16-25-17-23-8-4-5-15-26-23/h1-8,11-15,22,25H,9-10,16-19H2
InChIKeyOSEIRFBBOJQLQP-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.97
Rot. Bonds10

About N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide

N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide (PubChem CID 59826139) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
PubChem CID59826139
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(CNCc2ccccn2)cc1)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C24H27N3O2S/c28-30(29,27(19-22-9-10-22)18-21-6-2-1-3-7-21)24-13-11-20(12-14-24)16-25-17-23-8-4-5-15-26-23/h1-8,11-15,22,25H,9-10,16-19H2
InChIKeyOSEIRFBBOJQLQP-UHFFFAOYSA-N
XLogP3.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-3-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
CID 59826052
N-benzyl-N-(cyclopropylmethyl)-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
CID 71050438
N-benzyl-N-(cyclopropylmethyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826270
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 2878917
4-[[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]methyl]-N-oxidocyclohexane-1-carboxamide
CID 20967363
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
2-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]acetic acid
CID 103235916
1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
CID 655016
4-[(pyridin-2-ylmethylamino)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 24896567
bis(N-benzyl-4-formylbenzenesulfonamide);N-benzyl-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide;deuteriomethane;4-formylbenzenesulfonyl chloride
CID 161392687
trans-(1S,2S)-2-N-(pyridin-2-ylmethyl)-1-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]cyclohexane-1,2-diamine
CID 59989995
1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 59826214

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide (CID 59826139) is N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide is O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N(Cc1ccccc1)CC1CC1.
What is the InChIKey of N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide?
The InChIKey is OSEIRFBBOJQLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c28-30(29,27(19-22-9-10-22)18-21-6-2-1-3-7-21)24-13-11-20(12-14-24)16-25-17-23-8-4-5-15-26-23/h1-8,11-15,22,25H,9-10,16-19H2.
What are the key properties of N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide?
N-benzyl-N-(cyclopropylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide has a molecular weight of 421.57 g/mol, XLogP of 3.97, 10 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-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 59826139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).