N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine

C18H21BrN2O3S — CID 60597463

IUPACN-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2cccc(Br)c2)cc1)N1CCOCC1
InChIInChI=1S/C18H21BrN2O3S/c19-17-3-1-2-16(12-17)14-20-13-15-4-6-18(7-5-15)25(22,23)21-8-10-24-11-9-21/h1-7,12,20H,8-11,13-14H2
InChIKeySUZDVNOHSGMWBS-UHFFFAOYSA-N
MW425.35 g/mol
LogP2.76
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine

N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine (PubChem CID 60597463) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
PubChem CID60597463
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC NameN-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2cccc(Br)c2)cc1)N1CCOCC1
InChIInChI=1S/C18H21BrN2O3S/c19-17-3-1-2-16(12-17)14-20-13-15-4-6-18(7-5-15)25(22,23)21-8-10-24-11-9-21/h1-7,12,20H,8-11,13-14H2
InChIKeySUZDVNOHSGMWBS-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 52.76
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-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 27656588
4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 17474569
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
N-[(3-bromophenyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55595326
N-[1-(3-bromophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43873920
2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824752
4-(benzenesulfonyl)-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 60601958
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
CID 55684100
1-[(1R)-cyclohex-3-en-1-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 41236223

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine (CID 60597463) is N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine is O=S(=O)(c1ccc(CNCc2cccc(Br)c2)cc1)N1CCOCC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine?
The InChIKey is SUZDVNOHSGMWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c19-17-3-1-2-16(12-17)14-20-13-15-4-6-18(7-5-15)25(22,23)21-8-10-24-11-9-21/h1-7,12,20H,8-11,13-14H2.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine?
N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine has a molecular weight of 425.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 60597463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).