N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine

C18H21ClN2O3S — CID 27656588

IUPACN-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2ccccc2Cl)cc1)N1CCOCC1
InChIInChI=1S/C18H21ClN2O3S/c19-18-4-2-1-3-16(18)14-20-13-15-5-7-17(8-6-15)25(22,23)21-9-11-24-12-10-21/h1-8,20H,9-14H2
InChIKeyJTGVTUWGZRMKFA-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.65
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine

N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine (PubChem CID 27656588) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
PubChem CID27656588
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2ccccc2Cl)cc1)N1CCOCC1
InChIInChI=1S/C18H21ClN2O3S/c19-18-4-2-1-3-16(18)14-20-13-15-5-7-17(8-6-15)25(22,23)21-9-11-24-12-10-21/h1-8,20H,9-14H2
InChIKeyJTGVTUWGZRMKFA-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 27656690
N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 60597463
N-[(2-chlorophenyl)methyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27137564
N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 110826546
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586
N-[(2-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 47052625
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
(2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium
CID 9440631
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine (CID 27656588) is N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine is O=S(=O)(c1ccc(CNCc2ccccc2Cl)cc1)N1CCOCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine?
The InChIKey is JTGVTUWGZRMKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-18-4-2-1-3-16(18)14-20-13-15-5-7-17(8-6-15)25(22,23)21-9-11-24-12-10-21/h1-8,20H,9-14H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine has a molecular weight of 380.90 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 27656588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).